5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid

C12H22N2O3 — CID 82689472

IUPAC5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CC(N)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2-5-12(16)17)7-14-11(15)6-10(13)9-3-4-9/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyLZAJRWAGNQHXDB-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.73
Rot. Bonds8

About 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid

5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid (PubChem CID 82689472) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid
PubChem CID82689472
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CC(N)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2-5-12(16)17)7-14-11(15)6-10(13)9-3-4-9/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyLZAJRWAGNQHXDB-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

3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141491
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
(4S)-4-amino-4-cyclopropylbutanoic acid
CID 55291872
5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid
CID 82689279
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
4-methyl-5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297551
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid
CID 82689474
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid (CID 82689472) is 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)CC(N)C1CC1.
What is the InChIKey of 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is LZAJRWAGNQHXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2-5-12(16)17)7-14-11(15)6-10(13)9-3-4-9/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid?
5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic 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 5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82689472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).