2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid

C13H24N2O3 — CID 113471940

IUPAC2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCCCC(C)(C)NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O3/c1-4-7-13(2,3)14-12(18)15(9-11(16)17)8-10-5-6-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyBCKDBMKHMNABEI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds7

About 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid

2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 113471940) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
PubChem CID113471940
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCCCC(C)(C)NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O3/c1-4-7-13(2,3)14-12(18)15(9-11(16)17)8-10-5-6-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyBCKDBMKHMNABEI-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 113471918
2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61443321
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 79805439
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081
2-[cyclopropylmethyl-[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 63960082
2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid
CID 43655471
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410869
2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 65292062
2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid
CID 103995923
2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 61425635

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid (CID 113471940) is 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid is CCCC(C)(C)NC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is BCKDBMKHMNABEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-7-13(2,3)14-12(18)15(9-11(16)17)8-10-5-6-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 113471940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).