3-acetamido-5-aminopentanoic acid

C7H14N2O3 — CID 91746269

IUPAC3-acetamido-5-aminopentanoic acid
SMILESCC(=O)NC(CCN)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(10)9-6(2-3-8)4-7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyRGGSNNCJGLQIPG-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.69
Rot. Bonds5

About 3-acetamido-5-aminopentanoic acid

3-acetamido-5-aminopentanoic acid (PubChem CID 91746269) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-acetamido-5-aminopentanoic acid.

Molecular Properties

Compound Name3-acetamido-5-aminopentanoic acid
PubChem CID91746269
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name3-acetamido-5-aminopentanoic acid
SMILESCC(=O)NC(CCN)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(10)9-6(2-3-8)4-7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyRGGSNNCJGLQIPG-UHFFFAOYSA-N
XLogP-0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamidononanoic acid
CID 2195186
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen
CID 153349361
(4S)-4-acetamido-5-fluoropentanoic acid
CID 13477559
4-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-4-oxobutanoic acid
CID 121429263
(2S)-2-acetamido-4-amino-N-methylbutanamide
CID 89072475
2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
CID 174935142
azane;3,5-diaminopentanoic acid
CID 173202896
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
3-acetamido-4-methylpentanoic acid
CID 22460001
CID 160895097
CID 160895097
methyl N-(1-aminopentan-3-yl)carbamate
CID 62651614

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-aminopentanoic acid?
The IUPAC name of 3-acetamido-5-aminopentanoic acid (CID 91746269) is 3-acetamido-5-aminopentanoic acid.
What is the SMILES notation for 3-acetamido-5-aminopentanoic acid?
The canonical SMILES for 3-acetamido-5-aminopentanoic acid is CC(=O)NC(CCN)CC(=O)O.
What is the InChIKey of 3-acetamido-5-aminopentanoic acid?
The InChIKey is RGGSNNCJGLQIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(10)9-6(2-3-8)4-7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-acetamido-5-aminopentanoic acid?
3-acetamido-5-aminopentanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-aminopentanoic acid is sourced from PubChem (CID 91746269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).