3-[3-(aminomethyl)pentanoylamino]propanoic acid

C9H18N2O3 — CID 81086548

IUPAC3-[3-(aminomethyl)pentanoylamino]propanoic acid
SMILESCCC(CN)CC(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-2-7(6-10)5-8(12)11-4-3-9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyYFDOCSLPVJIRSU-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds7

About 3-[3-(aminomethyl)pentanoylamino]propanoic acid

3-[3-(aminomethyl)pentanoylamino]propanoic acid (PubChem CID 81086548) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pentanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(aminomethyl)pentanoylamino]propanoic acid
PubChem CID81086548
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[3-(aminomethyl)pentanoylamino]propanoic acid
SMILESCCC(CN)CC(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-2-7(6-10)5-8(12)11-4-3-9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyYFDOCSLPVJIRSU-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
CID 81087341
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pentanoylamino]propanoic acid?
The IUPAC name of 3-[3-(aminomethyl)pentanoylamino]propanoic acid (CID 81086548) is 3-[3-(aminomethyl)pentanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(aminomethyl)pentanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(aminomethyl)pentanoylamino]propanoic acid is CCC(CN)CC(=O)NCCC(=O)O.
What is the InChIKey of 3-[3-(aminomethyl)pentanoylamino]propanoic acid?
The InChIKey is YFDOCSLPVJIRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-7(6-10)5-8(12)11-4-3-9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[3-(aminomethyl)pentanoylamino]propanoic acid?
3-[3-(aminomethyl)pentanoylamino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pentanoylamino]propanoic acid is sourced from PubChem (CID 81086548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).