2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid

C14H26N2O3 — CID 19887777

IUPAC2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid
SMILESNC(CC1CCCCC1)C(O)C1CCCN1C(=O)O
InChIInChI=1S/C14H26N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)12-7-4-8-16(12)14(18)19/h10-13,17H,1-9,15H2,(H,18,19)
InChIKeyDPKZKBSGCWBEGA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.79
Rot. Bonds4

About 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid

2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid (PubChem CID 19887777) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid
PubChem CID19887777
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid
SMILESNC(CC1CCCCC1)C(O)C1CCCN1C(=O)O
InChIInChI=1S/C14H26N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)12-7-4-8-16(12)14(18)19/h10-13,17H,1-9,15H2,(H,18,19)
InChIKeyDPKZKBSGCWBEGA-UHFFFAOYSA-N
XLogP1.79
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10445851
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CID 17845988
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CID 18966318
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CID 19104697
CID 19104697
CID 19887780
CID 19887780
CID 19887784
CID 19887784
CID 21571883
CID 21571883
CID 21736384
CID 21736384
CID 22849820
CID 22849820
CID 57020992
CID 57020992
CID 66861683
CID 66861683
CID 66861684
CID 66861684

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid (CID 19887777) is 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid is NC(CC1CCCCC1)C(O)C1CCCN1C(=O)O.
What is the InChIKey of 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid?
The InChIKey is DPKZKBSGCWBEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)12-7-4-8-16(12)14(18)19/h10-13,17H,1-9,15H2,(H,18,19).
What are the key properties of 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid?
2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 19887777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).