(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide

C9H14N2O2 — CID 61147120

IUPAC(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1ccco1
InChIInChI=1S/C9H14N2O2/c1-7(10)9(12)11-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyBAGOTKXVRJCVEQ-ZETCQYMHSA-N
MW182.22 g/mol
LogP0.29
Rot. Bonds4

About (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide

(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide (PubChem CID 61147120) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
PubChem CID61147120
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1ccco1
InChIInChI=1S/C9H14N2O2/c1-7(10)9(12)11-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyBAGOTKXVRJCVEQ-ZETCQYMHSA-N
XLogP0.29
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605
(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide
CID 61156256
(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82961514
4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
CID 64895823
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025115
(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 71257877
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide (CID 61147120) is (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide is C[C@H](N)C(=O)NCCc1ccco1.
What is the InChIKey of (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide?
The InChIKey is BAGOTKXVRJCVEQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(10)9(12)11-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5,10H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide?
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide has a molecular weight of 182.22 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 61147120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).