(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid

C11H15N3O3 — CID 91438013

IUPAC(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid
SMILESC[C@@H](N)C(=O)N[C@@H](Cc1ccncc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(12)10(15)14-9(11(16)17)6-8-2-4-13-5-3-8/h2-5,7,9H,6,12H2,1H3,(H,14,15)(H,16,17)/t7-,9+/m1/s1
InChIKeyRAHUDKVZRAKMPT-APPZFPTMSA-N
MW237.26 g/mol
LogP-0.46
Rot. Bonds5

About (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid

(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid (PubChem CID 91438013) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid
PubChem CID91438013
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid
SMILESC[C@@H](N)C(=O)N[C@@H](Cc1ccncc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(12)10(15)14-9(11(16)17)6-8-2-4-13-5-3-8/h2-5,7,9H,6,12H2,1H3,(H,14,15)(H,16,17)/t7-,9+/m1/s1
InChIKeyRAHUDKVZRAKMPT-APPZFPTMSA-N
XLogP-0.46
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 13017548
2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 171150433
2-[[2-[[2-(2-aminopropanoylamino)-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18234551
(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 145453649
3-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-4-[(1-carboxy-2-phenylethyl)amino]-4-oxobutanoic acid
CID 18233447
2-[[2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18238002
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
CID 145453703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid?
The IUPAC name of (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid (CID 91438013) is (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid is C[C@@H](N)C(=O)N[C@@H](Cc1ccncc1)C(=O)O.
What is the InChIKey of (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid?
The InChIKey is RAHUDKVZRAKMPT-APPZFPTMSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(12)10(15)14-9(11(16)17)6-8-2-4-13-5-3-8/h2-5,7,9H,6,12H2,1H3,(H,14,15)(H,16,17)/t7-,9+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid?
(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid has a molecular weight of 237.26 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 91438013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).