(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide

C18H34N6O3 — CID 15408076

IUPAC(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CN(CC(=O)N[C@H](C=O)CCCN=C(N)N)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C18H34N6O3/c1-13(2)10-24(17(27)15-7-3-4-8-21-15)11-16(26)23-14(12-25)6-5-9-22-18(19)20/h12-15,21H,3-11H2,1-2H3,(H,23,26)(H4,19,20,22)/t14-,15+/m0/s1
InChIKeyHDAADYLGQPPNGJ-LSDHHAIUSA-N
MW382.51 g/mol
LogP-0.65
Rot. Bonds11

About (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide

(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide (PubChem CID 15408076) has the molecular formula C18H34N6O3 and a molecular weight of 382.51 g/mol. Its IUPAC name is (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide
PubChem CID15408076
Molecular FormulaC18H34N6O3
Molecular Weight382.51 g/mol
Exact Mass382.27
IUPAC Name(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CN(CC(=O)N[C@H](C=O)CCCN=C(N)N)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C18H34N6O3/c1-13(2)10-24(17(27)15-7-3-4-8-21-15)11-16(26)23-14(12-25)6-5-9-22-18(19)20/h12-15,21H,3-11H2,1-2H3,(H,23,26)(H4,19,20,22)/t14-,15+/m0/s1
InChIKeyHDAADYLGQPPNGJ-LSDHHAIUSA-N
XLogP-0.65
TPSA142.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride
CID 45260967
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 22854913
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990
2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869277
(2R)-N-ethyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 93267754
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93375201
benzyl N-[(2R)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-(piperidine-2-carbonyl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 163688495
(2R)-N,N-bis(2-amino-2-oxoethyl)piperidine-2-carboxamide
CID 104913884

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide (CID 15408076) is (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide is CC(C)CN(CC(=O)N[C@H](C=O)CCCN=C(N)N)C(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide?
The InChIKey is HDAADYLGQPPNGJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H34N6O3/c1-13(2)10-24(17(27)15-7-3-4-8-21-15)11-16(26)23-14(12-25)6-5-9-22-18(19)20/h12-15,21H,3-11H2,1-2H3,(H,23,26)(H4,19,20,22)/t14-,15+/m0/s1.
What are the key properties of (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide?
(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of -0.65, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 15408076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).