methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate

C8H15N3O4 — CID 60672495

IUPACmethyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCOC(=O)CCNC(C)C(=O)NC(N)=O
InChIInChI=1S/C8H15N3O4/c1-5(7(13)11-8(9)14)10-4-3-6(12)15-2/h5,10H,3-4H2,1-2H3,(H3,9,11,13,14)
InChIKeyBWEPTSLKCPISDN-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.28
Rot. Bonds5

About methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate

methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate (PubChem CID 60672495) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
PubChem CID60672495
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Namemethyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCOC(=O)CCNC(C)C(=O)NC(N)=O
InChIInChI=1S/C8H15N3O4/c1-5(7(13)11-8(9)14)10-4-3-6(12)15-2/h5,10H,3-4H2,1-2H3,(H3,9,11,13,14)
InChIKeyBWEPTSLKCPISDN-UHFFFAOYSA-N
XLogP-1.28
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
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 ≤ 105

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Related Compounds

ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]propanamide
CID 43086354
N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
CID 106045951
N-carbamoyl-2-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 115664044
N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
CID 43086025
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
methyl 3-[[2-(carbamoylamino)-2-oxoethyl]amino]propanoate
CID 60661713

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate (CID 60672495) is methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate is COC(=O)CCNC(C)C(=O)NC(N)=O.
What is the InChIKey of methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is BWEPTSLKCPISDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-5(7(13)11-8(9)14)10-4-3-6(12)15-2/h5,10H,3-4H2,1-2H3,(H3,9,11,13,14).
What are the key properties of methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate?
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 217.22 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 60672495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).