(2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid

C7H13NO5 — CID 10857188

IUPAC(2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid
SMILESCC(C)[C@@](O)(C(=O)O)[C@H](N)C(=O)O
InChIInChI=1S/C7H13NO5/c1-3(2)7(13,6(11)12)4(8)5(9)10/h3-4,13H,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,7+/m1/s1
InChIKeyFARCUHPHVOANAK-FBCQKBJTSA-N
MW191.18 g/mol
LogP-1.13
Rot. Bonds4

About (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid

(2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid (PubChem CID 10857188) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid.

Molecular Properties

Compound Name(2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid
PubChem CID10857188
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid
SMILESCC(C)[C@@](O)(C(=O)O)[C@H](N)C(=O)O
InChIInChI=1S/C7H13NO5/c1-3(2)7(13,6(11)12)4(8)5(9)10/h3-4,13H,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,7+/m1/s1
InChIKeyFARCUHPHVOANAK-FBCQKBJTSA-N
XLogP-1.13
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dihydroxybutanoic acid
CID 144692818
2-amino-2-hydroxy-3-methylbutanoic acid
CID 5320350
2-amino-4-hydroxy-3,3-dimethylpentanoic acid
CID 11997558
(2S)-2-aminopropanoic acid
CID 5950
(2S)-2-aminopropanoic acid
CID 18446182
(2R)-2-aminopropanoic acid
CID 18611140
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
CID 86589108
CID 86589108
(2S)-2-aminopropanoic acid;polane
CID 173022618
3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
CID 79304533
2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid
CID 79303592

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid?
The IUPAC name of (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid (CID 10857188) is (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid.
What is the SMILES notation for (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid?
The canonical SMILES for (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid is CC(C)[C@@](O)(C(=O)O)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid?
The InChIKey is FARCUHPHVOANAK-FBCQKBJTSA-N. The full InChI is InChI=1S/C7H13NO5/c1-3(2)7(13,6(11)12)4(8)5(9)10/h3-4,13H,8H2,1-2H3,(H,9,10)(H,11,12)/t4-,7+/m1/s1.
What are the key properties of (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid?
(2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid has a molecular weight of 191.18 g/mol, XLogP of -1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid is sourced from PubChem (CID 10857188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).