(2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid

C11H22N2O6 — CID 175476813

IUPAC(2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid
SMILESCC[C@H](CO)[C@H](N)C(=O)O.O=C(O)[C@]1(O)CCCN1
InChIInChI=1S/C6H13NO3.C5H9NO3/c1-2-4(3-8)5(7)6(9)10;7-4(8)5(9)2-1-3-6-5/h4-5,8H,2-3,7H2,1H3,(H,9,10);6,9H,1-3H2,(H,7,8)/t4-,5+;5-/m11/s1
InChIKeyJAYXZPALASJVTI-DJLAULPPSA-N
MW278.30 g/mol
LogP-1.44
Rot. Bonds5

About (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid

(2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 175476813) has the molecular formula C11H22N2O6 and a molecular weight of 278.30 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid
PubChem CID175476813
Molecular FormulaC11H22N2O6
Molecular Weight278.30 g/mol
Exact Mass278.15
IUPAC Name(2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid
SMILESCC[C@H](CO)[C@H](N)C(=O)O.O=C(O)[C@]1(O)CCCN1
InChIInChI=1S/C6H13NO3.C5H9NO3/c1-2-4(3-8)5(7)6(9)10;7-4(8)5(9)2-1-3-6-5/h4-5,8H,2-3,7H2,1H3,(H,9,10);6,9H,1-3H2,(H,7,8)/t4-,5+;5-/m11/s1
InChIKeyJAYXZPALASJVTI-DJLAULPPSA-N
XLogP-1.44
TPSA153.11 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.30
LogP ≤ 5-1.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 70246259
2-amino-3,3-dihydroxypropanoic acid;(2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid
CID 175339393
(2S)-2-amino-3-ethylpentanoic acid
CID 10125066
2-amino-3-(chloromethyl)pentanoic acid
CID 73155703
1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid
CID 174561878
2-hydroxypiperidine-2-carboxamide
CID 173139070
2-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70318917
2,3-diaminopentanoic acid
CID 22719142
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid
CID 67820831
2-(2-methylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 83080312
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid (CID 175476813) is (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid is CC[C@H](CO)[C@H](N)C(=O)O.O=C(O)[C@]1(O)CCCN1.
What is the InChIKey of (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is JAYXZPALASJVTI-DJLAULPPSA-N. The full InChI is InChI=1S/C6H13NO3.C5H9NO3/c1-2-4(3-8)5(7)6(9)10;7-4(8)5(9)2-1-3-6-5/h4-5,8H,2-3,7H2,1H3,(H,9,10);6,9H,1-3H2,(H,7,8)/t4-,5+;5-/m11/s1.
What are the key properties of (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid?
(2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 278.30 g/mol, XLogP of -1.44, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-(hydroxymethyl)pentanoic acid;(2R)-2-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175476813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).