2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid

C15H26N2O3 — CID 79804081

IUPAC2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N(CC1CC1)CC1CC1)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-15(4-2,13(18)19)16-14(20)17(9-11-5-6-11)10-12-7-8-12/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFWQXWGPHPPCNAH-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds8

About 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid

2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid (PubChem CID 79804081) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
PubChem CID79804081
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N(CC1CC1)CC1CC1)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-15(4-2,13(18)19)16-14(20)17(9-11-5-6-11)10-12-7-8-12/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFWQXWGPHPPCNAH-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61443321
2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79804069
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 79803922
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801439
2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 113471940
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291

Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid?
The IUPAC name of 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid (CID 79804081) is 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)N(CC1CC1)CC1CC1)C(=O)O.
What is the InChIKey of 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid?
The InChIKey is FWQXWGPHPPCNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-15(4-2,13(18)19)16-14(20)17(9-11-5-6-11)10-12-7-8-12/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid?
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid is sourced from PubChem (CID 79804081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).