3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid

C12H16ClN3O3 — CID 119911992

IUPAC3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
SMILESCC(C(=O)Nc1ccc(Cl)cn1)N(C)CCC(=O)O
InChIInChI=1S/C12H16ClN3O3/c1-8(16(2)6-5-11(17)18)12(19)15-10-4-3-9(13)7-14-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)(H,14,15,19)
InChIKeyZRTMNARBVWKTFA-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.47
Rot. Bonds6

About 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid

3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid (PubChem CID 119911992) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
PubChem CID119911992
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
SMILESCC(C(=O)Nc1ccc(Cl)cn1)N(C)CCC(=O)O
InChIInChI=1S/C12H16ClN3O3/c1-8(16(2)6-5-11(17)18)12(19)15-10-4-3-9(13)7-14-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)(H,14,15,19)
InChIKeyZRTMNARBVWKTFA-UHFFFAOYSA-N
XLogP1.47
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
CID 119042166
(2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 51924065
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103
3-[[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119912127
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
5-amino-N-(5-chloro-2-pyridinyl)-2-methylpentanamide
CID 104683574
N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78817210

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid (CID 119911992) is 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid is CC(C(=O)Nc1ccc(Cl)cn1)N(C)CCC(=O)O.
What is the InChIKey of 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid?
The InChIKey is ZRTMNARBVWKTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-8(16(2)6-5-11(17)18)12(19)15-10-4-3-9(13)7-14-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)(H,14,15,19).
What are the key properties of 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid?
3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid has a molecular weight of 285.73 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid is sourced from PubChem (CID 119911992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).