4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid

C12H23NO3 — CID 60883755

IUPAC4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C1CCCC1O
InChIInChI=1S/C12H23NO3/c1-9(2)13(8-4-7-12(15)16)10-5-3-6-11(10)14/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeySUYNASHTHBFVOG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.48
Rot. Bonds6

About 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid

4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid (PubChem CID 60883755) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid
PubChem CID60883755
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C1CCCC1O
InChIInChI=1S/C12H23NO3/c1-9(2)13(8-4-7-12(15)16)10-5-3-6-11(10)14/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeySUYNASHTHBFVOG-UHFFFAOYSA-N
XLogP1.48
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid (CID 60883755) is 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C1CCCC1O.
What is the InChIKey of 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid?
The InChIKey is SUYNASHTHBFVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)13(8-4-7-12(15)16)10-5-3-6-11(10)14/h9-11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid?
4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclopentyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60883755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).