2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid

C10H21NO3 — CID 114494839

IUPAC2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
SMILESCCN(CC(=O)O)CC(C)(O)C(C)C
InChIInChI=1S/C10H21NO3/c1-5-11(6-9(12)13)7-10(4,14)8(2)3/h8,14H,5-7H2,1-4H3,(H,12,13)
InChIKeyNFUXRPXVKNVKAV-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.80
Rot. Bonds6

About 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid

2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid (PubChem CID 114494839) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
PubChem CID114494839
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
SMILESCCN(CC(=O)O)CC(C)(O)C(C)C
InChIInChI=1S/C10H21NO3/c1-5-11(6-9(12)13)7-10(4,14)8(2)3/h8,14H,5-7H2,1-4H3,(H,12,13)
InChIKeyNFUXRPXVKNVKAV-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
CID 114448993
1-[ethyl(propyl)amino]-2,3-dimethylbutan-2-ol
CID 114448900
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid
CID 63646957
3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile
CID 114448919
2-(diethylamino)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111483937
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2,2-difluoroethyl(ethyl)amino]acetic acid
CID 61011889
ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate
CID 114448917
buta-1,3-diene;2-(diethylamino)acetic acid
CID 87268914
2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid
CID 114494841
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 79385927

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid (CID 114494839) is 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid is CCN(CC(=O)O)CC(C)(O)C(C)C.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid?
The InChIKey is NFUXRPXVKNVKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-11(6-9(12)13)7-10(4,14)8(2)3/h8,14H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid?
2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid has a molecular weight of 203.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid is sourced from PubChem (CID 114494839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).