4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid

C14H24N2O4 — CID 65299840

IUPAC4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCCCN(C(=O)NC(=O)CC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-4-5-8-16(10-6-7-10)13(20)15-11(17)9-14(2,3)12(18)19/h10H,4-9H2,1-3H3,(H,18,19)(H,15,17,20)
InChIKeyGQHXNGHUNXVTAS-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.99
Rot. Bonds7

About 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid

4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65299840) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65299840
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCCCN(C(=O)NC(=O)CC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-4-5-8-16(10-6-7-10)13(20)15-11(17)9-14(2,3)12(18)19/h10H,4-9H2,1-3H3,(H,18,19)(H,15,17,20)
InChIKeyGQHXNGHUNXVTAS-UHFFFAOYSA-N
XLogP1.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide
CID 61444001
N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide
CID 61444003
1-butyl-1,3-dicyclopropylurea
CID 115579407
6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287303
2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223685
(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
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65301944
2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64818273
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428386

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65299840) is 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid is CCCCN(C(=O)NC(=O)CC(C)(C)C(=O)O)C1CC1.
What is the InChIKey of 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is GQHXNGHUNXVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-5-8-16(10-6-7-10)13(20)15-11(17)9-14(2,3)12(18)19/h10H,4-9H2,1-3H3,(H,18,19)(H,15,17,20).
What are the key properties of 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(cyclopropyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65299840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).