2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid

C10H17NO5 — CID 114628859

IUPAC2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC1(C)C(O)CC1NC(=O)COCC(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2)6(3-7(10)12)11-8(13)4-16-5-9(14)15/h6-7,12H,3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyVMORTQYHKGTAOV-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.64
Rot. Bonds5

About 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 114628859) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid
PubChem CID114628859
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC1(C)C(O)CC1NC(=O)COCC(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2)6(3-7(10)12)11-8(13)4-16-5-9(14)15/h6-7,12H,3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyVMORTQYHKGTAOV-UHFFFAOYSA-N
XLogP-0.64
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxy-3-methylbutanamide
CID 103021218
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 114629316
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629795
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629789
3-(ethylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629835
2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethoxy]acetic acid
CID 61328036
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide
CID 114630472
3-(cyclopropylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629719
2-(butan-2-ylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629653
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471
2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid (CID 114628859) is 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid is CC1(C)C(O)CC1NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is VMORTQYHKGTAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2)6(3-7(10)12)11-8(13)4-16-5-9(14)15/h6-7,12H,3-5H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 114628859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).