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

C14H26N2O3 — CID 78974415

IUPAC2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(C)CCN(C(=O)NC(C(=O)O)C(C)C)C1CC1
InChIInChI=1S/C14H26N2O3/c1-9(2)7-8-16(11-5-6-11)14(19)15-12(10(3)4)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyJCZRMTPFDJZNFX-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds7

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

2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 78974415) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID78974415
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCC(C)CCN(C(=O)NC(C(=O)O)C(C)C)C1CC1
InChIInChI=1S/C14H26N2O3/c1-9(2)7-8-16(11-5-6-11)14(19)15-12(10(3)4)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyJCZRMTPFDJZNFX-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
CID 78974444
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976332
2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 79004991
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009565
(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
(2S)-2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 61408461
5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 78918801
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61455510
1-cyclopropyl-1-(3-methylbutyl)-3-(1-phenylbutyl)urea
CID 112832054
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
(2S)-2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54997515

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid (CID 78974415) is 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid is CC(C)CCN(C(=O)NC(C(=O)O)C(C)C)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is JCZRMTPFDJZNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)7-8-16(11-5-6-11)14(19)15-12(10(3)4)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid?
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 7 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-methylbutanoic acid is sourced from PubChem (CID 78974415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).