(2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid

C6H12N2O5 — CID 141123812

IUPAC(2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
SMILES[2H]N[C@H](CO)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4+/m1/s1/i/hD
InChIKeyXZKQVQKUZMAADP-XHWGBPRCSA-N
MW193.18 g/mol
LogP-3.13
Rot. Bonds6

About (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid (PubChem CID 141123812) has the molecular formula C6H12N2O5 and a molecular weight of 193.18 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
PubChem CID141123812
Molecular FormulaC6H12N2O5
Molecular Weight193.18 g/mol
Exact Mass193.08
IUPAC Name(2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
SMILES[2H]N[C@H](CO)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4+/m1/s1/i/hD
InChIKeyXZKQVQKUZMAADP-XHWGBPRCSA-N
XLogP-3.13
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-3.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-amino-4-[(1-carboxy-2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 22823992
(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
CID 145454699
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
CID 80750694
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]butanedioic acid
CID 18224076
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 138911104
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 18223989
2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoic acid
CID 18260774
(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoic acid;hydrochloride
CID 122235943
(2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxypropanoic acid
CID 44630224
(2S)-2-[(2,2-dihydroxyacetyl)amino]-3-hydroxypropanoic acid
CID 175753352
4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid
CID 13071897
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 145457816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid (CID 141123812) is (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid is [2H]N[C@H](CO)C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is XZKQVQKUZMAADP-XHWGBPRCSA-N. The full InChI is InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4+/m1/s1/i/hD.
What are the key properties of (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 193.18 g/mol, XLogP of -3.13, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-(deuterioamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 141123812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).