(4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid

C5H8ClNO5 — CID 172699968

IUPAC(4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)O[Cl+][O-]
InChIInChI=1S/C5H8ClNO5/c7-3(1-2-4(8)9)5(10)12-6-11/h3H,1-2,7H2,(H,8,9)/t3-/m0/s1
InChIKeyCVFPBMREIKURNW-VKHMYHEASA-N
MW197.57 g/mol
LogP-2.00
Rot. Bonds5

About (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid

(4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid (PubChem CID 172699968) has the molecular formula C5H8ClNO5 and a molecular weight of 197.57 g/mol. Its IUPAC name is (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid
PubChem CID172699968
Molecular FormulaC5H8ClNO5
Molecular Weight197.57 g/mol
Exact Mass197.01
IUPAC Name(4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)O[Cl+][O-]
InChIInChI=1S/C5H8ClNO5/c7-3(1-2-4(8)9)5(10)12-6-11/h3H,1-2,7H2,(H,8,9)/t3-/m0/s1
InChIKeyCVFPBMREIKURNW-VKHMYHEASA-N
XLogP-2.00
TPSA112.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.57
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
CID 173162315
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;chromium
CID 87792997

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid (CID 172699968) is (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid is N[C@@H](CCC(=O)O)C(=O)O[Cl+][O-].
What is the InChIKey of (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid?
The InChIKey is CVFPBMREIKURNW-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8ClNO5/c7-3(1-2-4(8)9)5(10)12-6-11/h3H,1-2,7H2,(H,8,9)/t3-/m0/s1.
What are the key properties of (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid?
(4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid has a molecular weight of 197.57 g/mol, XLogP of -2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-chlorosyloxy-5-oxopentanoic acid is sourced from PubChem (CID 172699968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).