(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid

C9H17BO4 — CID 69054314

IUPAC(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC[C@@H]1CCCB(O)O
InChIInChI=1S/C9H17BO4/c11-9(12)8-5-1-3-7(8)4-2-6-10(13)14/h7-8,13-14H,1-6H2,(H,11,12)/t7-,8?/m1/s1
InChIKeyLAEMEXSHYYYITG-GVHYBUMESA-N
MW200.04 g/mol
LogP0.74
Rot. Bonds5

About (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid

(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid (PubChem CID 69054314) has the molecular formula C9H17BO4 and a molecular weight of 200.04 g/mol. Its IUPAC name is (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid
PubChem CID69054314
Molecular FormulaC9H17BO4
Molecular Weight200.04 g/mol
Exact Mass200.12
IUPAC Name(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC[C@@H]1CCCB(O)O
InChIInChI=1S/C9H17BO4/c11-9(12)8-5-1-3-7(8)4-2-6-10(13)14/h7-8,13-14H,1-6H2,(H,11,12)/t7-,8?/m1/s1
InChIKeyLAEMEXSHYYYITG-GVHYBUMESA-N
XLogP0.74
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(3-boronopropyl)piperidine-3-carboxylic acid
CID 155793426
4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 77453645
4-(3-boronopropyl)-1-methylpyrrolidine-3-carboxylic acid
CID 142389909
2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103415800
2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 81008976
trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
CID 96581659
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-hept-6-enylcyclohexane-1-carboxylic acid
CID 107010655
1-(2-aminopropanoyl)-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 145304739
2-hept-6-enylcycloheptane-1-carboxylic acid
CID 107010657
(3S,4R)-1-(2-amino-4-carboxybutanoyl)-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 145304748
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid?
The IUPAC name of (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid (CID 69054314) is (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC[C@@H]1CCCB(O)O.
What is the InChIKey of (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid?
The InChIKey is LAEMEXSHYYYITG-GVHYBUMESA-N. The full InChI is InChI=1S/C9H17BO4/c11-9(12)8-5-1-3-7(8)4-2-6-10(13)14/h7-8,13-14H,1-6H2,(H,11,12)/t7-,8?/m1/s1.
What are the key properties of (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid?
(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid has a molecular weight of 200.04 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 69054314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).