3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide

C10H16N2O2 — CID 81400789

IUPAC3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
SMILESCC(CN)C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C10H16N2O2/c1-7(6-11)10(13)12-8(2)9-4-3-5-14-9/h3-5,7-8H,6,11H2,1-2H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyLYHANOKWDUTKFQ-MQWKRIRWSA-N
MW196.25 g/mol
LogP1.05
Rot. Bonds4

About 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide

3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide (PubChem CID 81400789) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
PubChem CID81400789
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
SMILESCC(CN)C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C10H16N2O2/c1-7(6-11)10(13)12-8(2)9-4-3-5-14-9/h3-5,7-8H,6,11H2,1-2H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyLYHANOKWDUTKFQ-MQWKRIRWSA-N
XLogP1.05
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide
CID 81399560
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107568236
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61154028
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
2-bromo-N-[1-(furan-2-yl)ethyl]butanamide
CID 62855564
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]hexanamide
CID 81399941
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18127116

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide (CID 81400789) is 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide is CC(CN)C(=O)N[C@@H](C)c1ccco1.
What is the InChIKey of 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide?
The InChIKey is LYHANOKWDUTKFQ-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(6-11)10(13)12-8(2)9-4-3-5-14-9/h3-5,7-8H,6,11H2,1-2H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide?
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide has a molecular weight of 196.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 81400789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).