2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid

C10H20N2O4 — CID 62337174

IUPAC2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC(C)O
InChIInChI=1S/C10H20N2O4/c1-4-5-12(7-9(14)15)10(16)11(3)6-8(2)13/h8,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyMVMMQQKYZZGGSU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.22
Rot. Bonds6

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

2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid (PubChem CID 62337174) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid
PubChem CID62337174
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC(C)O
InChIInChI=1S/C10H20N2O4/c1-4-5-12(7-9(14)15)10(16)11(3)6-8(2)13/h8,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyMVMMQQKYZZGGSU-UHFFFAOYSA-N
XLogP0.22
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid
CID 62338542
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
CID 61199001
2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid
CID 105419704
2-[(2-amino-2-oxoethyl)-[3-hydroxybutyl(methyl)carbamoyl]amino]acetic acid
CID 107439316
2-[2-hydroxypropyl(methyl)amino]-N,N-dipropylacetamide
CID 62334661
2-[acetyl(propyl)amino]acetic acid
CID 23279438
3-[dipropylcarbamoyl(methyl)amino]propanoic acid
CID 61183046
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid (CID 62337174) is 2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(C)CC(C)O.
What is the InChIKey of 2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid?
The InChIKey is MVMMQQKYZZGGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-5-12(7-9(14)15)10(16)11(3)6-8(2)13/h8,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid?
2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid has a molecular weight of 232.28 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 62337174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).