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

C12H20N2O3 — CID 64520201

IUPAC2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N(CC1CC1)C1CC1)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-12(2,10(15)16)13-11(17)14(9-5-6-9)7-8-3-4-8/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyWMNMPRAWLXOWFA-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.43
Rot. Bonds5

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

2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 64520201) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID64520201
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N(CC1CC1)C1CC1)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-12(2,10(15)16)13-11(17)14(9-5-6-9)7-8-3-4-8/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyWMNMPRAWLXOWFA-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55001073
2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61443321
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265940
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002836
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522000
3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522773
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
CID 107567101
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002549
2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 113471940
(2S)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64520008

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 64520201) is 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)N(CC1CC1)C1CC1)C(=O)O.
What is the InChIKey of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is WMNMPRAWLXOWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,10(15)16)13-11(17)14(9-5-6-9)7-8-3-4-8/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 64520201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).