(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid

C11H15N3O3 — CID 175888348

IUPAC(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
SMILESCNCC(=O)N[C@@H](Cc1cccnc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-12-7-10(15)14-9(11(16)17)5-8-3-2-4-13-6-8/h2-4,6,9,12H,5,7H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyJXBWBYILKSOLAO-VIFPVBQESA-N
MW237.26 g/mol
LogP-0.59
Rot. Bonds6

About (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid

(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid (PubChem CID 175888348) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
PubChem CID175888348
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
SMILESCNCC(=O)N[C@@H](Cc1cccnc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-12-7-10(15)14-9(11(16)17)5-8-3-2-4-13-6-8/h2-4,6,9,12H,5,7H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyJXBWBYILKSOLAO-VIFPVBQESA-N
XLogP-0.59
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
(2S)-2-(methoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
CID 59166442
N-methyl-1-oxoboranylmethanamine;2-(oxoboranylmethylamino)-3-pyridin-3-ylpropanoic acid
CID 91463181
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
CID 166310358
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoic acid
CID 87378706
(2S)-2-(prop-2-enoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
CID 7408759
(2S)-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 20582824
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
(2S)-2-[(4-aminophenyl)methoxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 146337673
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
2-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 22608375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid?
The IUPAC name of (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid (CID 175888348) is (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid is CNCC(=O)N[C@@H](Cc1cccnc1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid?
The InChIKey is JXBWBYILKSOLAO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-7-10(15)14-9(11(16)17)5-8-3-2-4-13-6-8/h2-4,6,9,12H,5,7H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid?
(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid has a molecular weight of 237.26 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 175888348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).