(2S)-2-(phenacylamino)pentanedioic acid

C13H15NO5 — CID 151542302

IUPAC(2S)-2-(phenacylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C13H15NO5/c15-11(9-4-2-1-3-5-9)8-14-10(13(18)19)6-7-12(16)17/h1-5,10,14H,6-8H2,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyMWKJDUJUDNEJBZ-JTQLQIEISA-N
MW265.26 g/mol
LogP0.78
Rot. Bonds8

About (2S)-2-(phenacylamino)pentanedioic acid

(2S)-2-(phenacylamino)pentanedioic acid (PubChem CID 151542302) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (2S)-2-(phenacylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(phenacylamino)pentanedioic acid
PubChem CID151542302
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(2S)-2-(phenacylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C13H15NO5/c15-11(9-4-2-1-3-5-9)8-14-10(13(18)19)6-7-12(16)17/h1-5,10,14H,6-8H2,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyMWKJDUJUDNEJBZ-JTQLQIEISA-N
XLogP0.78
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methylsulfanyl-2-(phenacylamino)butanoic acid
CID 22811813
(2R)-2-(phenacylamino)hexadecanoic acid
CID 153409524
3-methoxy-2-(phenacylamino)propanoic acid
CID 22284590
2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid
CID 108796206
azane;2-(carboxymethylamino)pentanedioic acid;iron
CID 174849848
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenacylamino)butanoic acid
CID 176600849
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
(2S)-2-[(3-oxo-3-phenylmethoxypropyl)amino]pentanedioic acid
CID 67577410
2-[[2-(3-aminophenyl)-2-oxoethyl]amino]pentanoic acid
CID 82258291
(2S)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]pentanedioic acid
CID 40548603
2-(thiophen-2-ylmethylamino)pentanedioic acid
CID 4120536

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenacylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(phenacylamino)pentanedioic acid (CID 151542302) is (2S)-2-(phenacylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(phenacylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(phenacylamino)pentanedioic acid is O=C(O)CC[C@H](NCC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(phenacylamino)pentanedioic acid?
The InChIKey is MWKJDUJUDNEJBZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO5/c15-11(9-4-2-1-3-5-9)8-14-10(13(18)19)6-7-12(16)17/h1-5,10,14H,6-8H2,(H,16,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(phenacylamino)pentanedioic acid?
(2S)-2-(phenacylamino)pentanedioic acid has a molecular weight of 265.26 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenacylamino)pentanedioic acid is sourced from PubChem (CID 151542302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).