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

C15H28N2O3 — CID 79004991

IUPAC2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)CCN(C(=O)NCC(C(=O)O)C(C)C)C1CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)7-8-17(12-5-6-12)15(20)16-9-13(11(3)4)14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyFFAVNYLMAFNSHF-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds8

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

2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 79004991) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
PubChem CID79004991
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)CCN(C(=O)NCC(C(=O)O)C(C)C)C1CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)7-8-17(12-5-6-12)15(20)16-9-13(11(3)4)14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyFFAVNYLMAFNSHF-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223685
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 78974415
3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid
CID 65223197
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976332
1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434207
2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223235
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
CID 78974444
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 114144655
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494
1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 87005504

Frequently Asked Questions

What is the IUPAC name of 2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid (CID 79004991) is 2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid is CC(C)CCN(C(=O)NCC(C(=O)O)C(C)C)C1CC1.
What is the InChIKey of 2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is FFAVNYLMAFNSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)7-8-17(12-5-6-12)15(20)16-9-13(11(3)4)14(18)19/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 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]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 79004991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).