methyl 2-(ethylcarbamoylamino)propanoate

C7H14N2O3 — CID 60980356

IUPACmethyl 2-(ethylcarbamoylamino)propanoate
SMILESCCNC(=O)NC(C)C(=O)OC
InChIInChI=1S/C7H14N2O3/c1-4-8-7(11)9-5(2)6(10)12-3/h5H,4H2,1-3H3,(H2,8,9,11)
InChIKeyRVPFAZDYINQEDI-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.13
Rot. Bonds3

About methyl 2-(ethylcarbamoylamino)propanoate

methyl 2-(ethylcarbamoylamino)propanoate (PubChem CID 60980356) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-(ethylcarbamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylcarbamoylamino)propanoate
PubChem CID60980356
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl 2-(ethylcarbamoylamino)propanoate
SMILESCCNC(=O)NC(C)C(=O)OC
InChIInChI=1S/C7H14N2O3/c1-4-8-7(11)9-5(2)6(10)12-3/h5H,4H2,1-3H3,(H2,8,9,11)
InChIKeyRVPFAZDYINQEDI-UHFFFAOYSA-N
XLogP-0.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylcarbamoylamino)propanamide
CID 115582785
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 80757457
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate
CID 3493714
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
methyl (2R)-2-acetamidopropanoate
CID 6951031
methyl 2-(ethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 4204339
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
methyl 2-(propylcarbamothioylamino)propanoate
CID 116507684
methyl 2-(pentanoylamino)propanoate
CID 541659

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylcarbamoylamino)propanoate?
The IUPAC name of methyl 2-(ethylcarbamoylamino)propanoate (CID 60980356) is methyl 2-(ethylcarbamoylamino)propanoate.
What is the SMILES notation for methyl 2-(ethylcarbamoylamino)propanoate?
The canonical SMILES for methyl 2-(ethylcarbamoylamino)propanoate is CCNC(=O)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylcarbamoylamino)propanoate?
The InChIKey is RVPFAZDYINQEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4-8-7(11)9-5(2)6(10)12-3/h5H,4H2,1-3H3,(H2,8,9,11).
What are the key properties of methyl 2-(ethylcarbamoylamino)propanoate?
methyl 2-(ethylcarbamoylamino)propanoate has a molecular weight of 174.20 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylcarbamoylamino)propanoate is sourced from PubChem (CID 60980356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).