methyl 2-(carbamoylamino)-3-hydroxypropanoate

C5H10N2O4 — CID 43311462

IUPACmethyl 2-(carbamoylamino)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(N)=O
InChIInChI=1S/C5H10N2O4/c1-11-4(9)3(2-8)7-5(6)10/h3,8H,2H2,1H3,(H3,6,7,10)
InChIKeyXPRRZMQVVFNXEC-UHFFFAOYSA-N
MW162.15 g/mol
LogP-1.81
Rot. Bonds3

About methyl 2-(carbamoylamino)-3-hydroxypropanoate

methyl 2-(carbamoylamino)-3-hydroxypropanoate (PubChem CID 43311462) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is methyl 2-(carbamoylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(carbamoylamino)-3-hydroxypropanoate
PubChem CID43311462
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Namemethyl 2-(carbamoylamino)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(N)=O
InChIInChI=1S/C5H10N2O4/c1-11-4(9)3(2-8)7-5(6)10/h3,8H,2H2,1H3,(H3,6,7,10)
InChIKeyXPRRZMQVVFNXEC-UHFFFAOYSA-N
XLogP-1.81
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
methyl (2S)-3-hydroxy-2-(iodoamino)propanoate
CID 147455572
methyl 2-(carbamoylamino)-4-methylpent-4-enoate
CID 86744408
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoate
CID 101237851
methyl (2S)-2-(tert-butylcarbamoylamino)-3-hydroxypropanoate
CID 54449855
methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate
CID 43407128
methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807
methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate
CID 79162041
methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
CID 103021727
methyl 2-(butoxycarbonylamino)-3-hydroxypropanoate
CID 87374830
methyl 2-formamido-3-hydroxypropanoate
CID 20784540

Frequently Asked Questions

What is the IUPAC name of methyl 2-(carbamoylamino)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(carbamoylamino)-3-hydroxypropanoate (CID 43311462) is methyl 2-(carbamoylamino)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(carbamoylamino)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(carbamoylamino)-3-hydroxypropanoate is COC(=O)C(CO)NC(N)=O.
What is the InChIKey of methyl 2-(carbamoylamino)-3-hydroxypropanoate?
The InChIKey is XPRRZMQVVFNXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-11-4(9)3(2-8)7-5(6)10/h3,8H,2H2,1H3,(H3,6,7,10).
What are the key properties of methyl 2-(carbamoylamino)-3-hydroxypropanoate?
methyl 2-(carbamoylamino)-3-hydroxypropanoate has a molecular weight of 162.15 g/mol, XLogP of -1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(carbamoylamino)-3-hydroxypropanoate is sourced from PubChem (CID 43311462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).