ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate

C11H18N2O4 — CID 94200698

IUPACethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C11H18N2O4/c1-3-17-11(16)7(2)13-9(14)6-12-10(15)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeyDWUJTGQISYWQBY-SSDOTTSWSA-N
MW242.27 g/mol
LogP-0.42
Rot. Bonds6

About ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate

ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate (PubChem CID 94200698) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate
PubChem CID94200698
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C11H18N2O4/c1-3-17-11(16)7(2)13-9(14)6-12-10(15)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeyDWUJTGQISYWQBY-SSDOTTSWSA-N
XLogP-0.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94191433
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl (2S)-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]propanoate
CID 139974005
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
ethyl (2S)-2-[[(1R,3S)-3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 52517363
N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95157805
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
CID 61381164
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate (CID 94200698) is ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)CNC(=O)C1CC1.
What is the InChIKey of ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate?
The InChIKey is DWUJTGQISYWQBY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-17-11(16)7(2)13-9(14)6-12-10(15)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate?
ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate has a molecular weight of 242.27 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate is sourced from PubChem (CID 94200698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).