(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide

C8H18N6O2 — CID 7019987

IUPAC(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide
SMILESNC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C8H18N6O2/c9-5(2-1-3-13-8(11)12)7(16)14-4-6(10)15/h5H,1-4,9H2,(H2,10,15)(H,14,16)(H4,11,12,13)/t5-/m0/s1
InChIKeyGNBSXHBKCDJFTP-YFKPBYRVSA-N
MW230.27 g/mol
LogP-3.03
Rot. Bonds7

About (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide

(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide (PubChem CID 7019987) has the molecular formula C8H18N6O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide
PubChem CID7019987
Molecular FormulaC8H18N6O2
Molecular Weight230.27 g/mol
Exact Mass230.15
IUPAC Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide
SMILESNC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C8H18N6O2/c9-5(2-1-3-13-8(11)12)7(16)14-4-6(10)15/h5H,1-4,9H2,(H2,10,15)(H,14,16)(H4,11,12,13)/t5-/m0/s1
InChIKeyGNBSXHBKCDJFTP-YFKPBYRVSA-N
XLogP-3.03
TPSA162.61 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-3.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide (CID 7019987) is (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide is NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide?
The InChIKey is GNBSXHBKCDJFTP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H18N6O2/c9-5(2-1-3-13-8(11)12)7(16)14-4-6(10)15/h5H,1-4,9H2,(H2,10,15)(H,14,16)(H4,11,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide?
(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide has a molecular weight of 230.27 g/mol, XLogP of -3.03, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 7019987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).