N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide

C8H16N2O2 — CID 18642221

IUPACN-[(2S)-6-amino-1-oxohexan-2-yl]acetamide
SMILESCC(=O)N[C@H](C=O)CCCCN
InChIInChI=1S/C8H16N2O2/c1-7(12)10-8(6-11)4-2-3-5-9/h6,8H,2-5,9H2,1H3,(H,10,12)/t8-/m0/s1
InChIKeyDSGKIZGAIIHCGK-QMMMGPOBSA-N
MW172.23 g/mol
LogP-0.18
Rot. Bonds6

About N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide

N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide (PubChem CID 18642221) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-6-amino-1-oxohexan-2-yl]acetamide
PubChem CID18642221
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[(2S)-6-amino-1-oxohexan-2-yl]acetamide
SMILESCC(=O)N[C@H](C=O)CCCCN
InChIInChI=1S/C8H16N2O2/c1-7(12)10-8(6-11)4-2-3-5-9/h6,8H,2-5,9H2,1H3,(H,10,12)/t8-/m0/s1
InChIKeyDSGKIZGAIIHCGK-QMMMGPOBSA-N
XLogP-0.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide
CID 87430272
2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
CID 123833893
4-acetamido-5-[[(2S)-1-[(6-amino-1-oxohexan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 170734002
6-amino-2-[[7-amino-3-(methylamino)hept-1-en-2-yl]amino]hexanal
CID 171080465
(4S)-4-acetamido-5-oxopentanoic acid
CID 57465512
(4R)-5-[[(2R)-6-amino-1-oxohexan-2-yl]amino]-4-(methylamino)-5-oxopentanoic acid
CID 178156191
(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide
CID 135254438
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
2,6-diamino-N-[2-[(6-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]hexanamide
CID 169185476
N-[(2R,3R,4S,5R)-12-amino-3,4,5,6-tetrahydroxy-1-oxododecan-2-yl]acetamide
CID 54490675
(2S)-2-[[(2S)-6-amino-1-oxohexan-2-yl]carbamoylamino]pentanedioic acid
CID 89270152
N-[(2S)-1-oxobutan-2-yl]acetamide
CID 55299338

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide?
The IUPAC name of N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide (CID 18642221) is N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide is CC(=O)N[C@H](C=O)CCCCN.
What is the InChIKey of N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide?
The InChIKey is DSGKIZGAIIHCGK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(12)10-8(6-11)4-2-3-5-9/h6,8H,2-5,9H2,1H3,(H,10,12)/t8-/m0/s1.
What are the key properties of N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide?
N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide is sourced from PubChem (CID 18642221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).