3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid

C10H17NO3 — CID 174018973

IUPAC3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESC[C@@H]1CC1(C)NC(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-6-5-10(6,4)11-7(12)9(2,3)8(13)14/h6H,5H2,1-4H3,(H,11,12)(H,13,14)/t6-,10?/m1/s1
InChIKeyFMWLGYNNESOZQI-ZMMDDIOLSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds3

About 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid

3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 174018973) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
PubChem CID174018973
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESC[C@@H]1CC1(C)NC(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-6-5-10(6,4)11-7(12)9(2,3)8(13)14/h6H,5H2,1-4H3,(H,11,12)(H,13,14)/t6-,10?/m1/s1
InChIKeyFMWLGYNNESOZQI-ZMMDDIOLSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid
CID 82821692
(1,2-dimethylcyclopropyl)carbamic acid;methanamine;N-methylprop-1-en-2-amine
CID 142053168
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
2,2-dimethyl-3-[(4-methylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 82820923
1,2,3-trimethylcyclobutane-1,2-dicarboxylic acid
CID 20525202
2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid
CID 82821366
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
2,2-dimethylpropanedioic acid;silver
CID 174269885
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513
3-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 155956827
3-[[(1R)-cyclohex-3-en-1-yl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 154872471

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid (CID 174018973) is 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid is C[C@@H]1CC1(C)NC(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is FMWLGYNNESOZQI-ZMMDDIOLSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-5-10(6,4)11-7(12)9(2,3)8(13)14/h6H,5H2,1-4H3,(H,11,12)(H,13,14)/t6-,10?/m1/s1.
What are the key properties of 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid?
3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1,2-dimethylcyclopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 174018973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).