(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide

C12H20N2O2 — CID 61156256

IUPAC(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCc1ccco1
InChIInChI=1S/C12H20N2O2/c1-3-9(2)11(13)12(15)14-7-6-10-5-4-8-16-10/h4-5,8-9,11H,3,6-7,13H2,1-2H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyAQIJDKVKCVFNNI-ONGXEEELSA-N
MW224.30 g/mol
LogP1.31
Rot. Bonds6

About (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide (PubChem CID 61156256) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide
PubChem CID61156256
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCc1ccco1
InChIInChI=1S/C12H20N2O2/c1-3-9(2)11(13)12(15)14-7-6-10-5-4-8-16-10/h4-5,8-9,11H,3,6-7,13H2,1-2H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyAQIJDKVKCVFNNI-ONGXEEELSA-N
XLogP1.31
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82961514
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
CID 64895823
2-amino-N,N-bis(furan-2-ylmethyl)-3-methylpentanamide
CID 60938301
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide (CID 61156256) is (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NCCc1ccco1.
What is the InChIKey of (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide?
The InChIKey is AQIJDKVKCVFNNI-ONGXEEELSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-9(2)11(13)12(15)14-7-6-10-5-4-8-16-10/h4-5,8-9,11H,3,6-7,13H2,1-2H3,(H,14,15)/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide has a molecular weight of 224.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 61156256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).