methyl 2-(dipropylcarbamoylamino)propanoate

C11H22N2O3 — CID 3752223

IUPACmethyl 2-(dipropylcarbamoylamino)propanoate
SMILESCCCN(CCC)C(=O)NC(C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-7-13(8-6-2)11(15)12-9(3)10(14)16-4/h9H,5-8H2,1-4H3,(H,12,15)
InChIKeyLYDFWDOLRPEAGM-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.38
Rot. Bonds6

About methyl 2-(dipropylcarbamoylamino)propanoate

methyl 2-(dipropylcarbamoylamino)propanoate (PubChem CID 3752223) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-(dipropylcarbamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(dipropylcarbamoylamino)propanoate
PubChem CID3752223
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-(dipropylcarbamoylamino)propanoate
SMILESCCCN(CCC)C(=O)NC(C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-7-13(8-6-2)11(15)12-9(3)10(14)16-4/h9H,5-8H2,1-4H3,(H,12,15)
InChIKeyLYDFWDOLRPEAGM-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(dipropylcarbamoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-1,1-dipropylurea
CID 17217773
methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate
CID 10616209
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276797
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 54959971
2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55123852
methyl 2-(pentanoylamino)propanoate
CID 541659
methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate
CID 123892539
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
CID 102470041

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dipropylcarbamoylamino)propanoate?
The IUPAC name of methyl 2-(dipropylcarbamoylamino)propanoate (CID 3752223) is methyl 2-(dipropylcarbamoylamino)propanoate.
What is the SMILES notation for methyl 2-(dipropylcarbamoylamino)propanoate?
The canonical SMILES for methyl 2-(dipropylcarbamoylamino)propanoate is CCCN(CCC)C(=O)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-(dipropylcarbamoylamino)propanoate?
The InChIKey is LYDFWDOLRPEAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-7-13(8-6-2)11(15)12-9(3)10(14)16-4/h9H,5-8H2,1-4H3,(H,12,15).
What are the key properties of methyl 2-(dipropylcarbamoylamino)propanoate?
methyl 2-(dipropylcarbamoylamino)propanoate has a molecular weight of 230.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dipropylcarbamoylamino)propanoate is sourced from PubChem (CID 3752223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).