2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid

C12H21NO3 — CID 120521237

IUPAC2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid
SMILESCCC(C)C(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c1-4-7(2)8(3)11(14)13-10(12(15)16)9-5-6-9/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyLXOSHZWONQIADD-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.65
Rot. Bonds6

About 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid

2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid (PubChem CID 120521237) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid
PubChem CID120521237
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid
SMILESCCC(C)C(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c1-4-7(2)8(3)11(14)13-10(12(15)16)9-5-6-9/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyLXOSHZWONQIADD-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
CID 62695331
2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
CID 116677711
2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
CID 62696023
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-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
CID 112744946
3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid
CID 64895375
2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
CID 20766230
2-cyclopropyl-2-(ethoxyamino)acetic acid
CID 103254508
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
(2R)-2-acetamido-2-cyclobutylacetic acid
CID 91654951

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid (CID 120521237) is 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid is CCC(C)C(C)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid?
The InChIKey is LXOSHZWONQIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-7(2)8(3)11(14)13-10(12(15)16)9-5-6-9/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid?
2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid is sourced from PubChem (CID 120521237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).