(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide

C9H20N4O2 — CID 87430272

IUPAC(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide
SMILESNCCCC[C@@H](C=O)NC(=O)[C@H](N)CN
InChIInChI=1S/C9H20N4O2/c10-4-2-1-3-7(6-14)13-9(15)8(12)5-11/h6-8H,1-5,10-12H2,(H,13,15)/t7-,8+/m0/s1
InChIKeyDUFWURIMWBIPMQ-JGVFFNPUSA-N
MW216.28 g/mol
LogP-1.91
Rot. Bonds8

About (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide

(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide (PubChem CID 87430272) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide
PubChem CID87430272
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide
SMILESNCCCC[C@@H](C=O)NC(=O)[C@H](N)CN
InChIInChI=1S/C9H20N4O2/c10-4-2-1-3-7(6-14)13-9(15)8(12)5-11/h6-8H,1-5,10-12H2,(H,13,15)/t7-,8+/m0/s1
InChIKeyDUFWURIMWBIPMQ-JGVFFNPUSA-N
XLogP-1.91
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.91
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'}

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Related Compounds

2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
CID 123833893
(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide
CID 88560908
3-amino-4-[(5-amino-1-oxopentan-2-yl)amino]-4-oxobutanoic acid
CID 123919208
(4S)-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
CID 54125890
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide
CID 18642221
2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide
CID 169185476
(2S)-6-amino-2-[[(2R)-2,3-diaminopropanoyl]amino]hexanoic acid;trihydrochloride
CID 11949492
(4R)-5-[[(2R)-6-amino-1-oxohexan-2-yl]amino]-4-(methylamino)-5-oxopentanoic acid
CID 178156191
(2S)-2-amino-N-[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide
CID 173087350
(4S)-5-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoic acid
CID 22813242
(2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]butanediamide
CID 54136273

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide?
The IUPAC name of (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide (CID 87430272) is (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide.
What is the SMILES notation for (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide?
The canonical SMILES for (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide is NCCCC[C@@H](C=O)NC(=O)[C@H](N)CN.
What is the InChIKey of (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide?
The InChIKey is DUFWURIMWBIPMQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H20N4O2/c10-4-2-1-3-7(6-14)13-9(15)8(12)5-11/h6-8H,1-5,10-12H2,(H,13,15)/t7-,8+/m0/s1.
What are the key properties of (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide?
(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide has a molecular weight of 216.28 g/mol, XLogP of -1.91, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide is sourced from PubChem (CID 87430272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).