1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid

C13H19NO3 — CID 114990407

IUPAC1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
SMILESCC(Cc1ccco1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H19NO3/c1-10(9-11-5-4-8-17-11)14-13(12(15)16)6-2-3-7-13/h4-5,8,10,14H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyVDGUXQIAJBCFQD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.20
Rot. Bonds5

About 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid

1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid (PubChem CID 114990407) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
PubChem CID114990407
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
SMILESCC(Cc1ccco1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H19NO3/c1-10(9-11-5-4-8-17-11)14-13(12(15)16)6-2-3-7-13/h4-5,8,10,14H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyVDGUXQIAJBCFQD-UHFFFAOYSA-N
XLogP2.20
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096088
1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 114990379
1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide
CID 61461953
1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 81179466
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197524
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 61197564
1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 158095708
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid (CID 114990407) is 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid is CC(Cc1ccco1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid?
The InChIKey is VDGUXQIAJBCFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(9-11-5-4-8-17-11)14-13(12(15)16)6-2-3-7-13/h4-5,8,10,14H,2-3,6-7,9H2,1H3,(H,15,16).
What are the key properties of 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid?
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114990407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).