2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid

C11H19NO3 — CID 62695331

IUPAC2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
SMILESCCCC(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-3-4-7(2)10(13)12-9(11(14)15)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCFAYFPNYQHRFRQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds6

About 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid

2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid (PubChem CID 62695331) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
PubChem CID62695331
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
SMILESCCCC(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-3-4-7(2)10(13)12-9(11(14)15)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCFAYFPNYQHRFRQ-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-2-methylpentanamide
CID 161003325
2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid
CID 120521237
2-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83147334
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
2-[(2,2-dicyclopropylacetyl)amino]pentanoic acid
CID 120534692
2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
CID 62697454
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
2-(2-but-3-enoxypropanoylamino)-2-cyclopropylacetic acid
CID 119213547
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 120686696
2-methyl-N-propan-2-ylpentanamide
CID 4628268
3-methyl-2-(2-methylpentanoylamino)butanoic acid
CID 43209765

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid (CID 62695331) is 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid is CCCC(C)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid?
The InChIKey is CFAYFPNYQHRFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-7(2)10(13)12-9(11(14)15)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid?
2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid is sourced from PubChem (CID 62695331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).