(2S)-2-amino-4-hydroxypentanedioate

C5H7NO5-2 — CID 5460078

IUPAC(2S)-2-amino-4-hydroxypentanedioate
SMILESN[C@@H](CC(O)C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/p-2/t2-,3?/m0/s1
InChIKeyHBDWQSHEVMSFGY-SCQFTWEKSA-L
MW161.11 g/mol
LogP-4.44
Rot. Bonds4

About (2S)-2-amino-4-hydroxypentanedioate

(2S)-2-amino-4-hydroxypentanedioate (PubChem CID 5460078) has the molecular formula C5H7NO5-2 and a molecular weight of 161.11 g/mol. Its IUPAC name is (2S)-2-amino-4-hydroxypentanedioate.

Molecular Properties

Compound Name(2S)-2-amino-4-hydroxypentanedioate
PubChem CID5460078
Molecular FormulaC5H7NO5-2
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name(2S)-2-amino-4-hydroxypentanedioate
SMILESN[C@@H](CC(O)C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/p-2/t2-,3?/m0/s1
InChIKeyHBDWQSHEVMSFGY-SCQFTWEKSA-L
XLogP-4.44
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-4.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

copper;(2S,4R)-2-amino-4-hydroxypentanoate;(2R,4S)-2-amino-4-hydroxypentanoate
CID 139053843
2-amino-4-methylpentanoate
CID 157437742
2-aminobutanedioate
CID 4519554
(2S)-2-amino-4-methylpentanoate;iron(3+)
CID 172736256
CID 21127296
CID 21127296
(2R)-2,4-diamino-4-oxobutanoate
CID 5460878
(2S)-2-aminobutanedioate;silver
CID 87272123
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
disodium;2-aminobutanedioate
CID 172873588
dicesium;(2S)-2-aminobutanedioate
CID 11639845
(2R)-2-amino-3-hydroxypropanoate
CID 5460788

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-hydroxypentanedioate?
The IUPAC name of (2S)-2-amino-4-hydroxypentanedioate (CID 5460078) is (2S)-2-amino-4-hydroxypentanedioate.
What is the SMILES notation for (2S)-2-amino-4-hydroxypentanedioate?
The canonical SMILES for (2S)-2-amino-4-hydroxypentanedioate is N[C@@H](CC(O)C(=O)[O-])C(=O)[O-].
What is the InChIKey of (2S)-2-amino-4-hydroxypentanedioate?
The InChIKey is HBDWQSHEVMSFGY-SCQFTWEKSA-L. The full InChI is InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/p-2/t2-,3?/m0/s1.
What are the key properties of (2S)-2-amino-4-hydroxypentanedioate?
(2S)-2-amino-4-hydroxypentanedioate has a molecular weight of 161.11 g/mol, XLogP of -4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-hydroxypentanedioate is sourced from PubChem (CID 5460078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).