2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid

C10H19N3O4 — CID 54985451

IUPAC2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
SMILESCCCN(CC(=O)NC)C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-5-13(6-8(14)11-3)10(17)12-7(2)9(15)16/h7H,4-6H2,1-3H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyLZWNKPASDCMURA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.37
Rot. Bonds6

About 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid

2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid (PubChem CID 54985451) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
PubChem CID54985451
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
SMILESCCCN(CC(=O)NC)C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-5-13(6-8(14)11-3)10(17)12-7(2)9(15)16/h7H,4-6H2,1-3H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyLZWNKPASDCMURA-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
CID 54985406
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 66167409
3-methoxy-4-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
CID 103158984
(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 78972056
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid (CID 54985451) is 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid is CCCN(CC(=O)NC)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid?
The InChIKey is LZWNKPASDCMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-4-5-13(6-8(14)11-3)10(17)12-7(2)9(15)16/h7H,4-6H2,1-3H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid?
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 54985451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).