3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid

C13H19NO3 — CID 63074216

IUPAC3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C13H19NO3/c1-2-10(8-13(15)16)14(11-5-6-11)9-12-4-3-7-17-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,15,16)
InChIKeyPNUFPZBPODUJSY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.50
Rot. Bonds7

About 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid

3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid (PubChem CID 63074216) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid
PubChem CID63074216
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C13H19NO3/c1-2-10(8-13(15)16)14(11-5-6-11)9-12-4-3-7-17-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,15,16)
InChIKeyPNUFPZBPODUJSY-UHFFFAOYSA-N
XLogP2.50
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
CID 81087169
2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid
CID 65057867
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700693
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927859
2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55003505
2-[furan-2-ylmethyl(methyl)amino]butanoic acid
CID 43809005
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
5-[furan-2-ylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966065
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid?
The IUPAC name of 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid (CID 63074216) is 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid is CCC(CC(=O)O)N(Cc1ccco1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid?
The InChIKey is PNUFPZBPODUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-10(8-13(15)16)14(11-5-6-11)9-12-4-3-7-17-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,15,16).
What are the key properties of 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid?
3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 63074216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).