methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate

C11H16N2O4 — CID 8922155

IUPACmethyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccco1
InChIInChI=1S/C11H16N2O4/c1-7(9-5-4-6-17-9)12-8(2)10(14)13-11(15)16-3/h4-8,12H,1-3H3,(H,13,14,15)/t7-,8-/m0/s1
InChIKeyHWMPINGPIXREQL-YUMQZZPRSA-N
MW240.26 g/mol
LogP1.20
Rot. Bonds4

About methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate

methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate (PubChem CID 8922155) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
PubChem CID8922155
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccco1
InChIInChI=1S/C11H16N2O4/c1-7(9-5-4-6-17-9)12-8(2)10(14)13-11(15)16-3/h4-8,12H,1-3H3,(H,13,14,15)/t7-,8-/m0/s1
InChIKeyHWMPINGPIXREQL-YUMQZZPRSA-N
XLogP1.20
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 8919781
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
(2S)-N-cyclopentyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 93035997
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81400011
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
phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate
CID 67845294
2-[1-(furan-2-yl)ethylamino]-3-methoxypropanamide
CID 115929753
methyl 2-[[(1R)-1-(furan-2-yl)ethyl]amino]butanoate
CID 115353555
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8756395

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate?
The IUPAC name of methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate (CID 8922155) is methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate is COC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccco1.
What is the InChIKey of methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate?
The InChIKey is HWMPINGPIXREQL-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(9-5-4-6-17-9)12-8(2)10(14)13-11(15)16-3/h4-8,12H,1-3H3,(H,13,14,15)/t7-,8-/m0/s1.
What are the key properties of methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate?
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate has a molecular weight of 240.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate is sourced from PubChem (CID 8922155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).