2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid

C12H22N2O3 — CID 55001073

IUPAC2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)CN(C(=O)NC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2)7-14(9-5-6-9)11(17)13-12(3,4)10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyPIGQZIOOFLARAW-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds5

About 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid

2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 55001073) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID55001073
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)CN(C(=O)NC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2)7-14(9-5-6-9)11(17)13-12(3,4)10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyPIGQZIOOFLARAW-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55001121
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428628
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 64520201
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265940
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61267138
4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897517
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 114144655
1-cyclopentyl-3-cyclopropyl-1-(2-methylpropyl)urea
CID 115597168
N-cyclobutyl-N-(2-methylpropyl)acetamide
CID 143031247
(2R)-5-amino-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830743

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid (CID 55001073) is 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid is CC(C)CN(C(=O)NC(C)(C)C(=O)O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is PIGQZIOOFLARAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)7-14(9-5-6-9)11(17)13-12(3,4)10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55001073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).