2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid

C10H21N3O3 — CID 62637183

IUPAC2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCCCN(C)C
InChIInChI=1S/C10H21N3O3/c1-8(9(14)15)13(4)10(16)11-6-5-7-12(2)3/h8H,5-7H2,1-4H3,(H,11,16)(H,14,15)
InChIKeyUMVVXZPHGZDJFJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.05
Rot. Bonds6

About 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid

2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid (PubChem CID 62637183) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid
PubChem CID62637183
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCCCN(C)C
InChIInChI=1S/C10H21N3O3/c1-8(9(14)15)13(4)10(16)11-6-5-7-12(2)3/h8H,5-7H2,1-4H3,(H,11,16)(H,14,15)
InChIKeyUMVVXZPHGZDJFJ-UHFFFAOYSA-N
XLogP0.05
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(4-propan-2-yloxybutylcarbamoyl)amino]propanoic acid
CID 106004564
2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid
CID 63227857
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
3-[3-(dimethylamino)propylcarbamoyl-ethylamino]butanoic acid
CID 62827325
2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618116
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
CID 62637361
2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid
CID 62988748
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541128
(2S)-2-[3-(dimethylamino)propanoyl-methylamino]propanoic acid
CID 118568669
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid (CID 62637183) is 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)NCCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid?
The InChIKey is UMVVXZPHGZDJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-8(9(14)15)13(4)10(16)11-6-5-7-12(2)3/h8H,5-7H2,1-4H3,(H,11,16)(H,14,15).
What are the key properties of 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid?
2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid has a molecular weight of 231.30 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 62637183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).