(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid

C12H17N3O3 — CID 11949370

IUPAC(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid
SMILESNC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H17N3O3/c13-7-9(14)11(16)15-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13-14H2,(H,15,16)(H,17,18)/t9-,10-/m1/s1
InChIKeyQXDQIONFEUSGQV-NXEZZACHSA-N
MW251.29 g/mol
LogP-0.92
Rot. Bonds6

About (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid

(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid (PubChem CID 11949370) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid
PubChem CID11949370
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid
SMILESNC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H17N3O3/c13-7-9(14)11(16)15-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13-14H2,(H,15,16)(H,17,18)/t9-,10-/m1/s1
InChIKeyQXDQIONFEUSGQV-NXEZZACHSA-N
XLogP-0.92
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 103869019
(3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
CID 145457163
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoic acid
CID 175869880
2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 18256354
4-amino-5-[[1-[(1-carboxy-2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 18220387
(4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 67702873
2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid;urea
CID 174908772
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18223402
(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 102142469

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid (CID 11949370) is (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid is NC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid?
The InChIKey is QXDQIONFEUSGQV-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-7-9(14)11(16)15-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13-14H2,(H,15,16)(H,17,18)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid has a molecular weight of 251.29 g/mol, XLogP of -0.92, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 11949370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).