3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid

C15H22N2O4 — CID 62338364

IUPAC3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid
SMILESCc1ccc(N(CCC(=O)O)C(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C15H22N2O4/c1-11-4-6-13(7-5-11)17(9-8-14(19)20)15(21)16(3)10-12(2)18/h4-7,12,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyYTCAUDGTPGZZMJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.71
Rot. Bonds6

About 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid

3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid (PubChem CID 62338364) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid
PubChem CID62338364
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid
SMILESCc1ccc(N(CCC(=O)O)C(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C15H22N2O4/c1-11-4-6-13(7-5-11)17(9-8-14(19)20)15(21)16(3)10-12(2)18/h4-7,12,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyYTCAUDGTPGZZMJ-UHFFFAOYSA-N
XLogP1.71
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-N-[methyl(2-methylpropyl)carbamoyl]anilino)propanoic acid
CID 61196438
3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
CID 62338366
4-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)butanoic acid
CID 62335673
3-(N-[butan-2-yl(methyl)carbamoyl]-4-methylanilino)propanoic acid
CID 61196799
3-[N-(2-hydroxypropyl)-4-methylanilino]propanoic acid
CID 60886015
3-(N-[(2-amino-2-oxoethyl)-methylcarbamoyl]-4-methylanilino)propanoic acid
CID 61199181
3-(N-(2-aminoacetyl)-4-methylanilino)propanoic acid
CID 61161445
3-[4-methyl-N-[3-(propan-2-ylamino)propanoyl]anilino]propanoic acid
CID 61159717
3-(4-methyl-N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 115949224
2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid
CID 63700444
3-[N-(2-aminobutanoyl)-4-methylanilino]propanoic acid
CID 61162035
3-(N-(2-acetamidoacetyl)-4-methylanilino)propanoic acid
CID 60844379

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid?
The IUPAC name of 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid (CID 62338364) is 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid.
What is the SMILES notation for 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid?
The canonical SMILES for 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid is Cc1ccc(N(CCC(=O)O)C(=O)N(C)CC(C)O)cc1.
What is the InChIKey of 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid?
The InChIKey is YTCAUDGTPGZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-4-6-13(7-5-11)17(9-8-14(19)20)15(21)16(3)10-12(2)18/h4-7,12,18H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid?
3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid is sourced from PubChem (CID 62338364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).