(2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate

C10H22N2O6 — CID 88950690

IUPAC(2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](N)CO.CC[C@@](N)(CO)C(=O)O
InChIInChI=1S/2C5H11NO3/c1-2-5(6,3-7)4(8)9;1-2-9-5(8)4(6)3-7/h7H,2-3,6H2,1H3,(H,8,9);4,7H,2-3,6H2,1H3/t5-;4-/m11/s1
InChIKeyCWZSIYJYTABVSF-ZYTCOCFOSA-N
MW266.29 g/mol
LogP-1.96
Rot. Bonds6

About (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate

(2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate (PubChem CID 88950690) has the molecular formula C10H22N2O6 and a molecular weight of 266.29 g/mol. Its IUPAC name is (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Name(2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate
PubChem CID88950690
Molecular FormulaC10H22N2O6
Molecular Weight266.29 g/mol
Exact Mass266.15
IUPAC Name(2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](N)CO.CC[C@@](N)(CO)C(=O)O
InChIInChI=1S/2C5H11NO3/c1-2-5(6,3-7)4(8)9;1-2-9-5(8)4(6)3-7/h7H,2-3,6H2,1H3,(H,8,9);4,7H,2-3,6H2,1H3/t5-;4-/m11/s1
InChIKeyCWZSIYJYTABVSF-ZYTCOCFOSA-N
XLogP-1.96
TPSA156.10 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-1.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
CID 174202899
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
diethyl (2S,3S)-2,3-bis(hydroxymethyl)butanedioate
CID 134885080
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate
CID 11426
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
ethyl (2R)-2-amino-3-[[(2R)-2-amino-3-ethoxy-3-oxopropyl]disulfanyl]propanoate
CID 6993069
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl (2S)-2-amino-3-hydroxypropanoate;methylsulfonylbenzene
CID 161451981

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate?
The IUPAC name of (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate (CID 88950690) is (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate?
The canonical SMILES for (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate is CCOC(=O)[C@H](N)CO.CC[C@@](N)(CO)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate?
The InChIKey is CWZSIYJYTABVSF-ZYTCOCFOSA-N. The full InChI is InChI=1S/2C5H11NO3/c1-2-5(6,3-7)4(8)9;1-2-9-5(8)4(6)3-7/h7H,2-3,6H2,1H3,(H,8,9);4,7H,2-3,6H2,1H3/t5-;4-/m11/s1.
What are the key properties of (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate?
(2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate has a molecular weight of 266.29 g/mol, XLogP of -1.96, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 88950690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).