2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid

C15H28N2O3 — CID 78974444

IUPAC2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N(CCC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-11(4)13(14(18)19)16-15(20)17(12-6-7-12)9-8-10(2)3/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyTZUZEHZKDNTVRN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds8

About 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid

2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid (PubChem CID 78974444) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
PubChem CID78974444
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N(CCC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-11(4)13(14(18)19)16-15(20)17(12-6-7-12)9-8-10(2)3/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyTZUZEHZKDNTVRN-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 78974415
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61455510
(2S)-2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54997515
(2S)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64520008
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196193
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976332
(2S)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 61449453
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
CID 61408349
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
(2S)-3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61408174
3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61407942
2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 79004991

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid (CID 78974444) is 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)N(CCC(C)C)C1CC1)C(=O)O.
What is the InChIKey of 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid?
The InChIKey is TZUZEHZKDNTVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-11(4)13(14(18)19)16-15(20)17(12-6-7-12)9-8-10(2)3/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid?
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 78974444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).