2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid

C13H21NO4 — CID 120548446

IUPAC2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCC1(C)CC1C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C13H21NO4/c1-13(2)6-9(13)11(15)14-10(12(16)17)8-4-3-5-18-7-8/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRQXFICFQDSUHAV-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.03
Rot. Bonds4

About 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid

2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120548446) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120548446
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCC1(C)CC1C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C13H21NO4/c1-13(2)6-9(13)11(15)14-10(12(16)17)8-4-3-5-18-7-8/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRQXFICFQDSUHAV-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 120547811
2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
CID 120548683
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548454
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690223
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120549000
2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120549024
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
(2S)-2-(methoxymethylamino)-2-[(3R)-oxan-3-yl]acetic acid
CID 126599456
2-(oxan-3-yl)-2-(pent-4-enoylamino)acetic acid
CID 120549003
2-(3-methylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547953

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid (CID 120548446) is 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid is CC1(C)CC1C(=O)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is RQXFICFQDSUHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(2)6-9(13)11(15)14-10(12(16)17)8-4-3-5-18-7-8/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 255.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120548446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).