4-acetamido-2-aminohexanoic acid

C8H16N2O3 — CID 139345088

IUPAC4-acetamido-2-aminohexanoic acid
SMILESCCC(CC(N)C(=O)O)NC(C)=O
InChIInChI=1S/C8H16N2O3/c1-3-6(10-5(2)11)4-7(9)8(12)13/h6-7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeySMIKNSACYAVZMH-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds5

About 4-acetamido-2-aminohexanoic acid

4-acetamido-2-aminohexanoic acid (PubChem CID 139345088) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-acetamido-2-aminohexanoic acid.

Molecular Properties

Compound Name4-acetamido-2-aminohexanoic acid
PubChem CID139345088
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-acetamido-2-aminohexanoic acid
SMILESCCC(CC(N)C(=O)O)NC(C)=O
InChIInChI=1S/C8H16N2O3/c1-3-6(10-5(2)11)4-7(9)8(12)13/h6-7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeySMIKNSACYAVZMH-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2R)-2-acetamidobutyl]acetamide
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N-(2-acetamidobutyl)acetamide
CID 547374
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
2-amino-6-methyl-4-(methylamino)heptanoic acid
CID 116957753
2-aminobutanoic acid;ethane
CID 90764297
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
CID 19792235
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
2-amino-4-[(1-amino-1-carboxypentan-3-yl)disulfanyl]hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-aminohexanoic acid?
The IUPAC name of 4-acetamido-2-aminohexanoic acid (CID 139345088) is 4-acetamido-2-aminohexanoic acid.
What is the SMILES notation for 4-acetamido-2-aminohexanoic acid?
The canonical SMILES for 4-acetamido-2-aminohexanoic acid is CCC(CC(N)C(=O)O)NC(C)=O.
What is the InChIKey of 4-acetamido-2-aminohexanoic acid?
The InChIKey is SMIKNSACYAVZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-6(10-5(2)11)4-7(9)8(12)13/h6-7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 4-acetamido-2-aminohexanoic acid?
4-acetamido-2-aminohexanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-aminohexanoic acid is sourced from PubChem (CID 139345088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).