(2S)-2-acetamido-6-aminohexanamide

C8H17N3O2 — CID 7021885

IUPAC(2S)-2-acetamido-6-aminohexanamide
SMILESCC(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-6(12)11-7(8(10)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H2,10,13)(H,11,12)/t7-/m0/s1
InChIKeyRXDBWNXJJIDFEF-ZETCQYMHSA-N
MW187.24 g/mol
LogP-0.89
Rot. Bonds6

About (2S)-2-acetamido-6-aminohexanamide

(2S)-2-acetamido-6-aminohexanamide (PubChem CID 7021885) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-acetamido-6-aminohexanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-6-aminohexanamide
PubChem CID7021885
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(2S)-2-acetamido-6-aminohexanamide
SMILESCC(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-6(12)11-7(8(10)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H2,10,13)(H,11,12)/t7-/m0/s1
InChIKeyRXDBWNXJJIDFEF-ZETCQYMHSA-N
XLogP-0.89
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanamide
CID 42640815
(2S)-2-[[(2S,3S)-2-acetamido-3-hydroxybutanoyl]amino]-6-aminohexanamide
CID 138591531
carbamoyl (2S)-2-acetamido-6-aminohexanoate
CID 57200276
amino 2-acetamido-6-aminohexanoate
CID 89268103
2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane
CID 142574713
2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
CID 174935142
2-[(2-acetamido-3-phenylpropanoyl)amino]-6-aminohexanamide
CID 23276388
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
(2S)-2-acetamido-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide
CID 87731133
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-(diaminomethylideneamino)hexanoyl]amino]-7-aminoheptanoyl]amino]-7-aminoheptanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]hexanediamide
CID 132572512
2-acetamidopentanamide
CID 23273489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-6-aminohexanamide?
The IUPAC name of (2S)-2-acetamido-6-aminohexanamide (CID 7021885) is (2S)-2-acetamido-6-aminohexanamide.
What is the SMILES notation for (2S)-2-acetamido-6-aminohexanamide?
The canonical SMILES for (2S)-2-acetamido-6-aminohexanamide is CC(=O)N[C@@H](CCCCN)C(N)=O.
What is the InChIKey of (2S)-2-acetamido-6-aminohexanamide?
The InChIKey is RXDBWNXJJIDFEF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(12)11-7(8(10)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H2,10,13)(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-acetamido-6-aminohexanamide?
(2S)-2-acetamido-6-aminohexanamide has a molecular weight of 187.24 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-6-aminohexanamide is sourced from PubChem (CID 7021885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).