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

C14H26N2O3 — CID 65223685

IUPAC2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCCCCN(C(=O)NCC(C(=O)O)C(C)C)C1CC1
InChIInChI=1S/C14H26N2O3/c1-4-5-8-16(11-6-7-11)14(19)15-9-12(10(2)3)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWOCVDNORVJRLPM-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds8

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

2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 65223685) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
PubChem CID65223685
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCCCCN(C(=O)NCC(C(=O)O)C(C)C)C1CC1
InChIInChI=1S/C14H26N2O3/c1-4-5-8-16(11-6-7-11)14(19)15-9-12(10(2)3)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWOCVDNORVJRLPM-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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]methyl]-3-methylbutanoic acid
CID 79004991
3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid
CID 65223197
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574
2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223235
6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287303
1-butyl-1,3-dicyclopropylurea
CID 115579407
1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434120
(2R)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005491
(2S)-4-amino-2-[[butyl(cyclopropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717551
2-[[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223018
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118

Frequently Asked Questions

What is the IUPAC name of 2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid (CID 65223685) is 2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid is CCCCN(C(=O)NCC(C(=O)O)C(C)C)C1CC1.
What is the InChIKey of 2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is WOCVDNORVJRLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-5-8-16(11-6-7-11)14(19)15-9-12(10(2)3)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65223685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).