2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid

C11H19NO3 — CID 63704773

IUPAC2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(C(C)=O)C1CC1
InChIInChI=1S/C11H19NO3/c1-4-7-11(3,10(14)15)12(8(2)13)9-5-6-9/h9H,4-7H2,1-3H3,(H,14,15)
InChIKeyRYJHQTMKHZGMCD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds5

About 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid

2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid (PubChem CID 63704773) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid
PubChem CID63704773
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(C(C)=O)C1CC1
InChIInChI=1S/C11H19NO3/c1-4-7-11(3,10(14)15)12(8(2)13)9-5-6-9/h9H,4-7H2,1-3H3,(H,14,15)
InChIKeyRYJHQTMKHZGMCD-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid
CID 114988949
2-[cyclohexyl(ethyl)amino]-2-methylpentanoic acid
CID 114991400
N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide
CID 139314367
2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid
CID 63703192
2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid
CID 63704841
2-[acetyl(ethyl)amino]-2-methylnonanoic acid
CID 63701700
N-acetyl-N-(3-methylhexan-3-yl)acetamide
CID 89349857
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
CID 114989107
4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248437
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 63549343
2-[acetyl(propyl)amino]-2-propylpentanoic acid
CID 55233791

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid (CID 63704773) is 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid is CCCC(C)(C(=O)O)N(C(C)=O)C1CC1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid?
The InChIKey is RYJHQTMKHZGMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-7-11(3,10(14)15)12(8(2)13)9-5-6-9/h9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid?
2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 63704773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).