(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C10H16N2O2 — CID 61146960

IUPAC(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)[C@H](C)N)o1
InChIInChI=1S/C10H16N2O2/c1-7-4-5-9(14-7)6-12(3)10(13)8(2)11/h4-5,8H,6,11H2,1-3H3/t8-/m0/s1
InChIKeyHKBUBUOQDHNGPT-QMMMGPOBSA-N
MW196.25 g/mol
LogP0.89
Rot. Bonds3

About (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 61146960) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID61146960
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C)C(=O)[C@H](C)N)o1
InChIInChI=1S/C10H16N2O2/c1-7-4-5-9(14-7)6-12(3)10(13)8(2)11/h4-5,8H,6,11H2,1-3H3/t8-/m0/s1
InChIKeyHKBUBUOQDHNGPT-QMMMGPOBSA-N
XLogP0.89
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
methyl 3-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]butanoate
CID 115188077
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
(2S)-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 78967844
2-amino-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 54869738
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 78768708
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 55208257
(2R)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 83195169
(2R)-N,N-dimethyl-2-[(5-methylfuran-2-yl)methylamino]propanamide
CID 93249413

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 61146960) is (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)[C@H](C)N)o1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is HKBUBUOQDHNGPT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-4-5-9(14-7)6-12(3)10(13)8(2)11/h4-5,8H,6,11H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 61146960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).