2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid

C13H23NO4 — CID 14036663

IUPAC2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid
SMILESNC(CCCC1(CC(=O)O)CCCCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c14-10(12(17)18)5-4-8-13(9-11(15)16)6-2-1-3-7-13/h10H,1-9,14H2,(H,15,16)(H,17,18)
InChIKeyBNIXBHWWDIBFTK-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.99
Rot. Bonds7

About 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid

2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid (PubChem CID 14036663) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid
PubChem CID14036663
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid
SMILESNC(CCCC1(CC(=O)O)CCCCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c14-10(12(17)18)5-4-8-13(9-11(15)16)6-2-1-3-7-13/h10H,1-9,14H2,(H,15,16)(H,17,18)
InChIKeyBNIXBHWWDIBFTK-UHFFFAOYSA-N
XLogP1.99
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid?
The IUPAC name of 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid (CID 14036663) is 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid.
What is the SMILES notation for 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid?
The canonical SMILES for 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid is NC(CCCC1(CC(=O)O)CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid?
The InChIKey is BNIXBHWWDIBFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c14-10(12(17)18)5-4-8-13(9-11(15)16)6-2-1-3-7-13/h10H,1-9,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid?
2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(carboxymethyl)cyclohexyl]pentanoic acid is sourced from PubChem (CID 14036663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).