(2S)-2-amino-N-(furan-3-ylmethyl)butanamide

C9H14N2O2 — CID 104874097

IUPAC(2S)-2-amino-N-(furan-3-ylmethyl)butanamide
SMILESCC[C@H](N)C(=O)NCc1ccoc1
InChIInChI=1S/C9H14N2O2/c1-2-8(10)9(12)11-5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyZMFQROSLIVIERY-QMMMGPOBSA-N
MW182.22 g/mol
LogP0.63
Rot. Bonds4

About (2S)-2-amino-N-(furan-3-ylmethyl)butanamide

(2S)-2-amino-N-(furan-3-ylmethyl)butanamide (PubChem CID 104874097) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(furan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(furan-3-ylmethyl)butanamide
PubChem CID104874097
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2S)-2-amino-N-(furan-3-ylmethyl)butanamide
SMILESCC[C@H](N)C(=O)NCc1ccoc1
InChIInChI=1S/C9H14N2O2/c1-2-8(10)9(12)11-5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyZMFQROSLIVIERY-QMMMGPOBSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide
CID 104909117
(2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide
CID 87548757
2-amino-N-[(3-methylphenyl)methyl]butanamide
CID 60915006
2-amino-N-[(4-cyanophenyl)methyl]butanamide
CID 60918435
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106
4-amino-1-(furan-3-yl)pentan-2-one
CID 116555995
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
(2S)-2-amino-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119836236
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(furan-3-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(furan-3-ylmethyl)butanamide (CID 104874097) is (2S)-2-amino-N-(furan-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(furan-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(furan-3-ylmethyl)butanamide is CC[C@H](N)C(=O)NCc1ccoc1.
What is the InChIKey of (2S)-2-amino-N-(furan-3-ylmethyl)butanamide?
The InChIKey is ZMFQROSLIVIERY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-8(10)9(12)11-5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(furan-3-ylmethyl)butanamide?
(2S)-2-amino-N-(furan-3-ylmethyl)butanamide has a molecular weight of 182.22 g/mol, XLogP of 0.63, 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-(furan-3-ylmethyl)butanamide is sourced from PubChem (CID 104874097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).