2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid

C15H26N2O5 — CID 120549000

IUPAC2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C15H26N2O5/c1-9(16-14(21)15(2,3)4)12(18)17-11(13(19)20)10-6-5-7-22-8-10/h9-11H,5-8H2,1-4H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyBQAIVOIDUZNLGT-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.53
Rot. Bonds5

About 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid

2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid (PubChem CID 120549000) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid
PubChem CID120549000
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C15H26N2O5/c1-9(16-14(21)15(2,3)4)12(18)17-11(13(19)20)10-6-5-7-22-8-10/h9-11H,5-8H2,1-4H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyBQAIVOIDUZNLGT-UHFFFAOYSA-N
XLogP0.53
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120549024
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-(2-ethylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120606679
2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 120547811
2-(3-methylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547953
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548446
2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
CID 120548683
2-[2-(3,4-difluorophenoxy)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548357
2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547769
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
2-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547563

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid (CID 120549000) is 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid is CC(NC(=O)C(C)(C)C)C(=O)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid?
The InChIKey is BQAIVOIDUZNLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-9(16-14(21)15(2,3)4)12(18)17-11(13(19)20)10-6-5-7-22-8-10/h9-11H,5-8H2,1-4H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid?
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid has a molecular weight of 314.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120549000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).