(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid

C6H10O3 — CID 10909599

IUPAC(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C[C@@]1(O)C(=O)O
InChIInChI=1S/C6H10O3/c1-5(2)3-6(5,9)4(7)8/h9H,3H2,1-2H3,(H,7,8)/t6-/m1/s1
InChIKeyRBUDJUDGTCPQRD-ZCFIWIBFSA-N
MW130.14 g/mol
LogP0.23
Rot. Bonds1

About (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid

(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 10909599) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID10909599
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C[C@@]1(O)C(=O)O
InChIInChI=1S/C6H10O3/c1-5(2)3-6(5,9)4(7)8/h9H,3H2,1-2H3,(H,7,8)/t6-/m1/s1
InChIKeyRBUDJUDGTCPQRD-ZCFIWIBFSA-N
XLogP0.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828
1-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79853126
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-4-methyloxolane-3-carboxylic acid
CID 174791369
5-(hydroxymethyl)-1,3,5-trimethylcyclohexane-1,3-dicarboxylic acid
CID 129120880
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299
(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
(1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
CID 7003716
acetic acid;2,2-dichloro-1-methylcyclopropan-1-ol
CID 71377534
1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide
CID 127007168
7-hydroxyspiro[2.4]heptane-7-carboxylic acid
CID 83905217
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005

Frequently Asked Questions

What is the IUPAC name of (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid (CID 10909599) is (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C[C@@]1(O)C(=O)O.
What is the InChIKey of (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is RBUDJUDGTCPQRD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O3/c1-5(2)3-6(5,9)4(7)8/h9H,3H2,1-2H3,(H,7,8)/t6-/m1/s1.
What are the key properties of (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid?
(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10909599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).