ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate

C14H20N2O3 — CID 10084171

IUPACethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)11(3)16-14(18)15-10(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H2,15,16,18)/t10-,11+/m1/s1
InChIKeyHPZPFSAJDOOWBN-MNOVXSKESA-N
MW264.32 g/mol
LogP2.00
Rot. Bonds5

About ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate

ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate (PubChem CID 10084171) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
PubChem CID10084171
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)11(3)16-14(18)15-10(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H2,15,16,18)/t10-,11+/m1/s1
InChIKeyHPZPFSAJDOOWBN-MNOVXSKESA-N
XLogP2.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-oxo-3-[[(1R)-1-phenylethyl]amino]propanoate
CID 104877608
(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
CID 36515448
ethyl (2S)-2-[(2-fluoro-2-phenylacetyl)amino]propanoate
CID 22894970
ethyl 2-methyl-3-[[(1R)-1-phenylethyl]amino]but-2-enoate
CID 162812870
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
(2S,3R)-3-methyl-2-[[(1S)-1-phenylethyl]carbamoylamino]pentanoate
CID 7559953
ethyl 3-[[(1R)-1-phenylethyl]carbamoyl]but-3-enoate
CID 102062178
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
butyl N-(1-phenylethyl)carbamate
CID 571821
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
ethyl (Z)-3-[[(1R)-1-phenylethyl]amino]but-2-enoate
CID 15947944

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate?
The IUPAC name of ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate (CID 10084171) is ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate?
The canonical SMILES for ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate is CCOC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate?
The InChIKey is HPZPFSAJDOOWBN-MNOVXSKESA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-13(17)11(3)16-14(18)15-10(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H2,15,16,18)/t10-,11+/m1/s1.
What are the key properties of ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate?
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate is sourced from PubChem (CID 10084171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).