2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid

C10H19N3O4 — CID 61199001

IUPAC2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC(=O)NC
InChIInChI=1S/C10H19N3O4/c1-4-5-13(7-9(15)16)10(17)12(3)6-8(14)11-2/h4-7H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyOFVAJRNMJNLOHK-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.42
Rot. Bonds6

About 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid

2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid (PubChem CID 61199001) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
PubChem CID61199001
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC(=O)NC
InChIInChI=1S/C10H19N3O4/c1-4-5-13(7-9(15)16)10(17)12(3)6-8(14)11-2/h4-7H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyOFVAJRNMJNLOHK-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid
CID 62337174
2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 61197296
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902
3-[dipropylcarbamoyl(methyl)amino]propanoic acid
CID 61183046
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid
CID 105419704
2-[(2-amino-2-oxoethyl)-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
CID 107438233
3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
CID 62827512
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065970

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid (CID 61199001) is 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(C)CC(=O)NC.
What is the InChIKey of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid?
The InChIKey is OFVAJRNMJNLOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-4-5-13(7-9(15)16)10(17)12(3)6-8(14)11-2/h4-7H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid?
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 61199001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).