2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid

C8H15NO5 — CID 54109371

IUPAC2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(N)(C(=O)O)C(C)O
InChIInChI=1S/C8H15NO5/c1-5(10)8(9,7(12)13)4-3-6(11)14-2/h5,10H,3-4,9H2,1-2H3,(H,12,13)
InChIKeyNFZMGNVBRKVDBR-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.90
Rot. Bonds5

About 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid

2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid (PubChem CID 54109371) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid
PubChem CID54109371
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(N)(C(=O)O)C(C)O
InChIInChI=1S/C8H15NO5/c1-5(10)8(9,7(12)13)4-3-6(11)14-2/h5,10H,3-4,9H2,1-2H3,(H,12,13)
InChIKeyNFZMGNVBRKVDBR-UHFFFAOYSA-N
XLogP-0.90
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,4-difluoro-6-methylheptanoate
CID 59459061
(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
CID 125427224
dimethyl 3,4,4-trimethylheptanedioate
CID 121007817
methyl 5-bromo-4-chloro-4,5,5-trifluoropentanoate
CID 51342036
2,3-dihydroxypropyl 4,4-dimethylpentanoate
CID 87838530
1-O-tert-butyl 5-O-methyl 2,2-diaminopentanedioate
CID 91491713
methyl (4S)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 102062040
methyl 5,5,5-trifluoro-4-methylpentanoate
CID 154460395
dimethyl 4-nitro-4-propan-2-ylheptanedioate
CID 121016215
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
dimethyl 4-methylheptanedioate
CID 521222
methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate
CID 10822287

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid (CID 54109371) is 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(N)(C(=O)O)C(C)O.
What is the InChIKey of 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid?
The InChIKey is NFZMGNVBRKVDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-5(10)8(9,7(12)13)4-3-6(11)14-2/h5,10H,3-4,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid?
2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid has a molecular weight of 205.21 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 54109371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).