(2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid

C14H19NO5 — CID 178075831

IUPAC(2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CCCC1C=CC=C1)C(=O)O
InChIInChI=1S/C14H19NO5/c16-12(7-3-6-10-4-1-2-5-10)15-11(14(19)20)8-9-13(17)18/h1-2,4-5,10-11H,3,6-9H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyRXMPUYSAMJSQJX-NSHDSACASA-N
MW281.31 g/mol
LogP1.33
Rot. Bonds9

About (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid

(2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid (PubChem CID 178075831) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid
PubChem CID178075831
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CCCC1C=CC=C1)C(=O)O
InChIInChI=1S/C14H19NO5/c16-12(7-3-6-10-4-1-2-5-10)15-11(14(19)20)8-9-13(17)18/h1-2,4-5,10-11H,3,6-9H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyRXMPUYSAMJSQJX-NSHDSACASA-N
XLogP1.33
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
potassium (2R)-2-(dodecanoylamino)pentanedioic acid
CID 10270407
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
2-(propanoylamino)pentanedioic acid
CID 10436353

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid (CID 178075831) is (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid is O=C(O)CC[C@H](NC(=O)CCCC1C=CC=C1)C(=O)O.
What is the InChIKey of (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid?
The InChIKey is RXMPUYSAMJSQJX-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO5/c16-12(7-3-6-10-4-1-2-5-10)15-11(14(19)20)8-9-13(17)18/h1-2,4-5,10-11H,3,6-9H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid?
(2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid has a molecular weight of 281.31 g/mol, XLogP of 1.33, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopenta-2,4-dien-1-ylbutanoylamino)pentanedioic acid is sourced from PubChem (CID 178075831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).