(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid

C8H14N2O4 — CID 173018934

IUPAC(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NCC=CO)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-7(12)3-2-6(8(13)14)10-4-1-5-11/h1,5-6,10-11H,2-4H2,(H2,9,12)(H,13,14)/t6-/m0/s1
InChIKeyJYHIBDQWFKUHTG-LURJTMIESA-N
MW202.21 g/mol
LogP-0.63
Rot. Bonds7

About (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid

(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid (PubChem CID 173018934) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
PubChem CID173018934
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NCC=CO)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-7(12)3-2-6(8(13)14)10-4-1-5-11/h1,5-6,10-11H,2-4H2,(H2,9,12)(H,13,14)/t6-/m0/s1
InChIKeyJYHIBDQWFKUHTG-LURJTMIESA-N
XLogP-0.63
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
CID 174327511
5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid
CID 174425999
(2S)-5-amino-2-(4-hydroxybutylamino)-5-oxopentanoic acid
CID 21134302
(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
(2S)-5-amino-2-formamido-5-oxopentanoic acid
CID 2054353
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
CID 174954933
5-amino-5-oxo-2-(1-phosphonoprop-2-enylamino)pentanoic acid
CID 87478022

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid (CID 173018934) is (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid is NC(=O)CC[C@H](NCC=CO)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid?
The InChIKey is JYHIBDQWFKUHTG-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O4/c9-7(12)3-2-6(8(13)14)10-4-1-5-11/h1,5-6,10-11H,2-4H2,(H2,9,12)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.63, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid is sourced from PubChem (CID 173018934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).