(2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid

C6H9NO5 — CID 87253521

IUPAC(2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid
SMILESC=C(C(=O)O)C(O)[C@H](N)C(=O)O
InChIInChI=1S/C6H9NO5/c1-2(5(9)10)4(8)3(7)6(11)12/h3-4,8H,1,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1
InChIKeyRSYBGFZORPFBEV-WUCPZUCCSA-N
MW175.14 g/mol
LogP-1.60
Rot. Bonds4

About (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid

(2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid (PubChem CID 87253521) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid
PubChem CID87253521
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name(2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid
SMILESC=C(C(=O)O)C(O)[C@H](N)C(=O)O
InChIInChI=1S/C6H9NO5/c1-2(5(9)10)4(8)3(7)6(11)12/h3-4,8H,1,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1
InChIKeyRSYBGFZORPFBEV-WUCPZUCCSA-N
XLogP-1.60
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride
CID 91928385
(2S)-2-amino-3,4-dihydroxypentanedioic acid
CID 22790188
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248
(2S)-2-amino-3-methylbutanoic acid;2-aminoprop-2-enoic acid
CID 87398128
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
3-amino-2-methylidenepentanoic acid
CID 23312012
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid
CID 174951992
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
silver 2-amino-3-methylbutanoic acid
CID 19021116

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid?
The IUPAC name of (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid (CID 87253521) is (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid is C=C(C(=O)O)C(O)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid?
The InChIKey is RSYBGFZORPFBEV-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H9NO5/c1-2(5(9)10)4(8)3(7)6(11)12/h3-4,8H,1,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid?
(2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid has a molecular weight of 175.14 g/mol, XLogP of -1.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-4-methylidenepentanedioic acid is sourced from PubChem (CID 87253521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).