3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid

C11H15N3O3 — CID 44607224

IUPAC3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid
SMILESCNCC(NC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-12-7-9(10(15)16)14-11(17)13-8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyRUERXUWUONSMPD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.48
Rot. Bonds5

About 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid

3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid (PubChem CID 44607224) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid
PubChem CID44607224
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid
SMILESCNCC(NC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-12-7-9(10(15)16)14-11(17)13-8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyRUERXUWUONSMPD-UHFFFAOYSA-N
XLogP0.48
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
4-amino-4-oxo-2-(phenylcarbamoylamino)butanoic acid
CID 16772019
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
3-(4-methylpiperazin-1-yl)-2-(phenylcarbamoylamino)propanoic acid
CID 46873575
2-methyl-3-(methylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 119725693
(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 146096385
ethyl (2S)-3-amino-2-(phenylcarbamoylamino)propanoate
CID 59103872
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
2-[[3-(methylaminomethyl)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61408535
2-methyl-3-(methylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119725692

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid (CID 44607224) is 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid is CNCC(NC(=O)Nc1ccccc1)C(=O)O.
What is the InChIKey of 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid?
The InChIKey is RUERXUWUONSMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-7-9(10(15)16)14-11(17)13-8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid?
3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid is sourced from PubChem (CID 44607224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).