2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid

C11H19NO3 — CID 43655102

IUPAC2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
SMILESCCC(C)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H19NO3/c1-3-8(2)11(15)12(7-10(13)14)6-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyORTBKFHFZLNPSK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds6

About 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid

2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid (PubChem CID 43655102) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
PubChem CID43655102
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
SMILESCCC(C)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H19NO3/c1-3-8(2)11(15)12(7-10(13)14)6-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyORTBKFHFZLNPSK-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 43656094
2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655374
2-[cyclopropylmethyl-[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 63960082
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 65048420
2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 54959971
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
CID 65054998
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid (CID 43655102) is 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid is CCC(C)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid?
The InChIKey is ORTBKFHFZLNPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-8(2)11(15)12(7-10(13)14)6-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid?
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid is sourced from PubChem (CID 43655102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).