tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate

C15H27NO4 — CID 80706794

IUPACtert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate
SMILESCC(C)[C@H](NC(=O)CC1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-10(2)13(14(18)20-15(3,4)5)16-12(17)9-11-7-6-8-19-11/h10-11,13H,6-9H2,1-5H3,(H,16,17)/t11?,13-/m0/s1
InChIKeyVLCHQUHHXZKCTI-YUZLPWPTSA-N
MW285.38 g/mol
LogP2.04
Rot. Bonds5

About tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate

tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate (PubChem CID 80706794) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate
PubChem CID80706794
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate
SMILESCC(C)[C@H](NC(=O)CC1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-10(2)13(14(18)20-15(3,4)5)16-12(17)9-11-7-6-8-19-11/h10-11,13H,6-9H2,1-5H3,(H,16,17)/t11?,13-/m0/s1
InChIKeyVLCHQUHHXZKCTI-YUZLPWPTSA-N
XLogP2.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate with MolForge

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Related Compounds

tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate
CID 81003942
tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103873195
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
CID 65157376
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
CID 110677926
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
CID 77057681
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 54390356
tert-butyl (2R)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoate
CID 103775011
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449
3-methyl-2-(oxolan-2-ylmethoxycarbonylamino)butanoic acid
CID 18917778
N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
CID 114300771

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate?
The IUPAC name of tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate (CID 80706794) is tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate.
What is the SMILES notation for tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate?
The canonical SMILES for tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate is CC(C)[C@H](NC(=O)CC1CCCO1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate?
The InChIKey is VLCHQUHHXZKCTI-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H27NO4/c1-10(2)13(14(18)20-15(3,4)5)16-12(17)9-11-7-6-8-19-11/h10-11,13H,6-9H2,1-5H3,(H,16,17)/t11?,13-/m0/s1.
What are the key properties of tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate?
tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate has a molecular weight of 285.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate is sourced from PubChem (CID 80706794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).