1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid

C11H19NO3 — CID 2474304

IUPAC1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C11H19NO3/c1-8(2)12-9(13)7-11(10(14)15)5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBIDCEEMOEXNZLQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 2474304) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID2474304
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C11H19NO3/c1-8(2)12-9(13)7-11(10(14)15)5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBIDCEEMOEXNZLQ-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid (CID 2474304) is 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid is CC(C)NC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is BIDCEEMOEXNZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)12-9(13)7-11(10(14)15)5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 2474304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).