3-(3-methoxypropylcarbamoylamino)propanoic acid

C8H16N2O4 — CID 28510500

IUPAC3-(3-methoxypropylcarbamoylamino)propanoic acid
SMILESCOCCCNC(=O)NCCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-14-6-2-4-9-8(13)10-5-3-7(11)12/h2-6H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyCSRIJQVLAREZCU-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.20
Rot. Bonds7

About 3-(3-methoxypropylcarbamoylamino)propanoic acid

3-(3-methoxypropylcarbamoylamino)propanoic acid (PubChem CID 28510500) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(3-methoxypropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxypropylcarbamoylamino)propanoic acid
PubChem CID28510500
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name3-(3-methoxypropylcarbamoylamino)propanoic acid
SMILESCOCCCNC(=O)NCCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-14-6-2-4-9-8(13)10-5-3-7(11)12/h2-6H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyCSRIJQVLAREZCU-UHFFFAOYSA-N
XLogP-0.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Hexylcarbamoylamino)propanoic acid
CID 2824978
3-(2-Carboxyethylcarbamoylamino)propanoic acid
CID 251520
Tert-butyl 3-(3-methoxypropylcarbamoylamino)propanoate
CID 56807054
3-[2-(2,2-Difluoroethoxy)ethylcarbamoyl-methylamino]propanoic acid
CID 105918866
3-[(4,4,4-Trifluoro-3-methoxybutyl)carbamoylamino]propanoic acid
CID 122011319
3-[Methyl-[(4,4,4-trifluoro-3-methoxybutyl)carbamoyl]amino]propanoic acid
CID 122011324
3-[3-(Difluoromethoxy)propylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122013588
Urea, N-acetoxypropyl-N'-propyl-
CID 537211
3-[(Methylcarbamoyl)amino]propanoic acid
CID 16783331
3-(2-Methylpropylcarbamoylamino)propanoic acid
CID 16783547
3-(Propylcarbamoylamino)propanoic acid
CID 16785961
N-(Butylcarbamoyl)-beta-alanine
CID 16787981

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(3-methoxypropylcarbamoylamino)propanoic acid (CID 28510500) is 3-(3-methoxypropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(3-methoxypropylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(3-methoxypropylcarbamoylamino)propanoic acid is COCCCNC(=O)NCCC(=O)O.
What is the InChIKey of 3-(3-methoxypropylcarbamoylamino)propanoic acid?
The InChIKey is CSRIJQVLAREZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-14-6-2-4-9-8(13)10-5-3-7(11)12/h2-6H2,1H3,(H,11,12)(H2,9,10,13).
What are the key properties of 3-(3-methoxypropylcarbamoylamino)propanoic acid?
3-(3-methoxypropylcarbamoylamino)propanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 28510500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).