propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate

C13H27NO2 — CID 129152201

IUPACpropan-2-yl 2-(3-methylhexan-3-ylamino)propanoate
SMILESCCCC(C)(CC)NC(C)C(=O)OC(C)C
InChIInChI=1S/C13H27NO2/c1-7-9-13(6,8-2)14-11(5)12(15)16-10(3)4/h10-11,14H,7-9H2,1-6H3
InChIKeyISZOWKLYBBDDTI-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.88
Rot. Bonds7

About propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate

propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate (PubChem CID 129152201) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-methylhexan-3-ylamino)propanoate
PubChem CID129152201
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Namepropan-2-yl 2-(3-methylhexan-3-ylamino)propanoate
SMILESCCCC(C)(CC)NC(C)C(=O)OC(C)C
InChIInChI=1S/C13H27NO2/c1-7-9-13(6,8-2)14-11(5)12(15)16-10(3)4/h10-11,14H,7-9H2,1-6H3
InChIKeyISZOWKLYBBDDTI-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpentan-3-ylamino)propanoic acid
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2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
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[5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-5-methylhexan-2-yl] (2S)-2-(tert-butylamino)propanoate
CID 126512663
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(methylcarbamoyl)propanamide
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propan-2-yl (2S)-2-(iodoamino)propanoate
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2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114154103
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate?
The IUPAC name of propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate (CID 129152201) is propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate.
What is the SMILES notation for propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate?
The canonical SMILES for propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate is CCCC(C)(CC)NC(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate?
The InChIKey is ISZOWKLYBBDDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-9-13(6,8-2)14-11(5)12(15)16-10(3)4/h10-11,14H,7-9H2,1-6H3.
What are the key properties of propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate?
propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate has a molecular weight of 229.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-methylhexan-3-ylamino)propanoate is sourced from PubChem (CID 129152201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).