3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid

C12H22N2O3 — CID 112735393

IUPAC3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)C(N)CC1CC1)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-8(6-11(15)16)7-14-12(17)10(13)5-9-3-4-9/h8-10H,2-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyHSAPAZXAZGKBTR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.73
Rot. Bonds8

About 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid

3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid (PubChem CID 112735393) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid
PubChem CID112735393
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)C(N)CC1CC1)CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-8(6-11(15)16)7-14-12(17)10(13)5-9-3-4-9/h8-10H,2-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyHSAPAZXAZGKBTR-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
3-[[(2-amino-4-methoxybutanoyl)amino]methyl]pentanoic acid
CID 81073119
3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]pentanoic acid
CID 81072542
3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069382
3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069465
3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid
CID 11185289
3-[[[(2S)-2-amino-2-phenylacetyl]amino]methyl]pentanoic acid
CID 103870660
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069707
3-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81067819
3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
CID 81072834
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid (CID 112735393) is 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)C(N)CC1CC1)CC(=O)O.
What is the InChIKey of 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid?
The InChIKey is HSAPAZXAZGKBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-8(6-11(15)16)7-14-12(17)10(13)5-9-3-4-9/h8-10H,2-7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid?
3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 112735393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).