ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate

C13H25N3O3 — CID 93255529

IUPACethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
SMILESCCC[C@H](N)C(=O)NC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H25N3O3/c1-3-5-11(14)12(17)15-10-6-8-16(9-7-10)13(18)19-4-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyMGJGZMVIJYKSCQ-NSHDSACASA-N
MW271.36 g/mol
LogP0.85
Rot. Bonds5

About ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate

ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate (PubChem CID 93255529) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
PubChem CID93255529
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nameethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
SMILESCCC[C@H](N)C(=O)NC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H25N3O3/c1-3-5-11(14)12(17)15-10-6-8-16(9-7-10)13(18)19-4-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyMGJGZMVIJYKSCQ-NSHDSACASA-N
XLogP0.85
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
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CID 47103610
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
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2-amino-N-(4-aminocyclohexyl)pentanamide
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2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride
CID 119341231
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
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CID 119304288

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate (CID 93255529) is ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate is CCC[C@H](N)C(=O)NC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate?
The InChIKey is MGJGZMVIJYKSCQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-5-11(14)12(17)15-10-6-8-16(9-7-10)13(18)19-4-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 93255529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).