(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide

C11H17N3O3 — CID 8919781

IUPAC(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccco1
InChIInChI=1S/C11H17N3O3/c1-7(9-5-4-6-17-9)13-8(2)10(15)14-11(16)12-3/h4-8,13H,1-3H3,(H2,12,14,15,16)/t7-,8+/m0/s1
InChIKeyKMQHCMVGBYZFCN-JGVFFNPUSA-N
MW239.27 g/mol
LogP0.77
Rot. Bonds4

About (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide

(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 8919781) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID8919781
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccco1
InChIInChI=1S/C11H17N3O3/c1-7(9-5-4-6-17-9)13-8(2)10(15)14-11(16)12-3/h4-8,13H,1-3H3,(H2,12,14,15,16)/t7-,8+/m0/s1
InChIKeyKMQHCMVGBYZFCN-JGVFFNPUSA-N
XLogP0.77
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide
CID 60677139
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81400011
(2S)-N-cyclopentyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 93035997
2-[1-(furan-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 43401095
(2R)-N-(4-acetylphenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 8918884
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide (CID 8919781) is (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccco1.
What is the InChIKey of (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is KMQHCMVGBYZFCN-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(9-5-4-6-17-9)13-8(2)10(15)14-11(16)12-3/h4-8,13H,1-3H3,(H2,12,14,15,16)/t7-,8+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 239.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 8919781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).