ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate

C8H15N3O4 — CID 101162412

IUPACethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@H](C)NC(N)=O
InChIInChI=1S/C8H15N3O4/c1-3-15-6(12)4-10-7(13)5(2)11-8(9)14/h5H,3-4H2,1-2H3,(H,10,13)(H3,9,11,14)/t5-/m0/s1
InChIKeyVHMHXKKKQZBQGN-YFKPBYRVSA-N
MW217.22 g/mol
LogP-1.28
Rot. Bonds5

About ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate

ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate (PubChem CID 101162412) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
PubChem CID101162412
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Nameethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@H](C)NC(N)=O
InChIInChI=1S/C8H15N3O4/c1-3-15-6(12)4-10-7(13)5(2)11-8(9)14/h5H,3-4H2,1-2H3,(H,10,13)(H3,9,11,14)/t5-/m0/s1
InChIKeyVHMHXKKKQZBQGN-YFKPBYRVSA-N
XLogP-1.28
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 14236082
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
CID 14236081
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
ethyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115589392
3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 560349
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
CID 106346911
ethyl 2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetate
CID 10319675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate (CID 101162412) is ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate is CCOC(=O)CNC(=O)[C@H](C)NC(N)=O.
What is the InChIKey of ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate?
The InChIKey is VHMHXKKKQZBQGN-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-3-15-6(12)4-10-7(13)5(2)11-8(9)14/h5H,3-4H2,1-2H3,(H,10,13)(H3,9,11,14)/t5-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate?
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate has a molecular weight of 217.22 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate is sourced from PubChem (CID 101162412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).