(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid

C15H27NO3 — CID 104928854

IUPAC(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CC1CCCCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,3)13(14(18)19)16-12(17)10-11-8-6-4-5-7-9-11/h11,13H,4-10H2,1-3H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyMIFLSEIBMKGYFM-ZDUSSCGKSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds4

About (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 104928854) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
PubChem CID104928854
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CC1CCCCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,3)13(14(18)19)16-12(17)10-11-8-6-4-5-7-9-11/h11,13H,4-10H2,1-3H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyMIFLSEIBMKGYFM-ZDUSSCGKSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-cyclobutylacetyl)amino]-3,3-dimethylbutanoic acid
CID 103162147
2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid
CID 43467501
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide
CID 145466463
2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane
CID 145466352
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43649140
2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61161581
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61205743
N-(1-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid (CID 104928854) is (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)CC1CCCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is MIFLSEIBMKGYFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,3)13(14(18)19)16-12(17)10-11-8-6-4-5-7-9-11/h11,13H,4-10H2,1-3H3,(H,16,17)(H,18,19)/t13-/m0/s1.
What are the key properties of (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 104928854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).