(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide

C12H20N2O2 — CID 61154028

IUPAC(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)c1ccco1
InChIInChI=1S/C12H20N2O2/c1-8(2)7-10(13)12(15)14-9(3)11-5-4-6-16-11/h4-6,8-10H,7,13H2,1-3H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyQVDMUXFZYUXPLN-AXDSSHIGSA-N
MW224.30 g/mol
LogP1.83
Rot. Bonds5

About (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide

(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide (PubChem CID 61154028) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
PubChem CID61154028
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)c1ccco1
InChIInChI=1S/C12H20N2O2/c1-8(2)7-10(13)12(15)14-9(3)11-5-4-6-16-11/h4-6,8-10H,7,13H2,1-3H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyQVDMUXFZYUXPLN-AXDSSHIGSA-N
XLogP1.83
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107568236
(2S)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 61180250
(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 104902855
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]hexanamide
CID 81399941
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide
CID 81399560
methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60696494

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide (CID 61154028) is (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC(C)c1ccco1.
What is the InChIKey of (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide?
The InChIKey is QVDMUXFZYUXPLN-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)7-10(13)12(15)14-9(3)11-5-4-6-16-11/h4-6,8-10H,7,13H2,1-3H3,(H,14,15)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide has a molecular weight of 224.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 61154028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).