4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid

C12H22N2O4 — CID 66001609

IUPAC4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCCN(C(=O)NCC(C)(O)CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O4/c1-3-6-14(9-4-5-9)11(17)13-8-12(2,18)7-10(15)16/h9,18H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBANFCPQPEPXIPI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds7

About 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid

4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66001609) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66001609
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCCN(C(=O)NCC(C)(O)CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O4/c1-3-6-14(9-4-5-9)11(17)13-8-12(2,18)7-10(15)16/h9,18H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBANFCPQPEPXIPI-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002836
4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001198
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
4-[[butyl(methyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000804
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994
3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 66003598
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
CID 43445694
3-methyl-3-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 64700277
3-hydroxy-3-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 66003800
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid
CID 114227148
3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428386

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid (CID 66001609) is 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid is CCCN(C(=O)NCC(C)(O)CC(=O)O)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is BANFCPQPEPXIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-6-14(9-4-5-9)11(17)13-8-12(2,18)7-10(15)16/h9,18H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid?
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66001609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).