2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid

C13H19N3O3 — CID 62996719

IUPAC2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCc1ccc(CNC(=O)N(CC(=O)O)C(C)C)cn1
InChIInChI=1S/C13H19N3O3/c1-9(2)16(8-12(17)18)13(19)15-7-11-5-4-10(3)14-6-11/h4-6,9H,7-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCZCBGTQYBFYMDD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.39
Rot. Bonds5

About 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid

2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid (PubChem CID 62996719) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid
PubChem CID62996719
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCc1ccc(CNC(=O)N(CC(=O)O)C(C)C)cn1
InChIInChI=1S/C13H19N3O3/c1-9(2)16(8-12(17)18)13(19)15-7-11-5-4-10(3)14-6-11/h4-6,9H,7-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCZCBGTQYBFYMDD-UHFFFAOYSA-N
XLogP1.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(6-methyl-3-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55139938
2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61183174
2-[(3-methylphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61205547
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
2-[1,2,4-oxadiazol-3-ylmethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 106403446
(2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
CID 79010063
3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55139744
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
3-methyl-2-[[(6-methyl-3-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 65226600
2-[(5-methylthiophen-2-yl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 62056404
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
3-[(4-methylphenyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 61190416

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid (CID 62996719) is 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid is Cc1ccc(CNC(=O)N(CC(=O)O)C(C)C)cn1.
What is the InChIKey of 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is CZCBGTQYBFYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)16(8-12(17)18)13(19)15-7-11-5-4-10(3)14-6-11/h4-6,9H,7-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid?
2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 62996719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).