(2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate

C14H25N2O3- — CID 6956248

IUPAC(2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate
SMILESCC[C@H]1CCCCN1C(=O)N[C@@H](CC(C)C)C(=O)[O-]
InChIInChI=1S/C14H26N2O3/c1-4-11-7-5-6-8-16(11)14(19)15-12(13(17)18)9-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/p-1/t11-,12-/m0/s1
InChIKeyASABHDOMTTZJIO-RYUDHWBXSA-M
MW269.36 g/mol
LogP1.13
Rot. Bonds5

About (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate

(2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate (PubChem CID 6956248) has the molecular formula C14H25N2O3- and a molecular weight of 269.36 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate
PubChem CID6956248
Molecular FormulaC14H25N2O3-
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name(2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate
SMILESCC[C@H]1CCCCN1C(=O)N[C@@H](CC(C)C)C(=O)[O-]
InChIInChI=1S/C14H26N2O3/c1-4-11-7-5-6-8-16(11)14(19)15-12(13(17)18)9-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/p-1/t11-,12-/m0/s1
InChIKeyASABHDOMTTZJIO-RYUDHWBXSA-M
XLogP1.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61209577
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 104690867
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate
CID 3987418
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
2-ethylazepane-1-carbohydrazide
CID 104691127
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate?
The IUPAC name of (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate (CID 6956248) is (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate.
What is the SMILES notation for (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate?
The canonical SMILES for (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate is CC[C@H]1CCCCN1C(=O)N[C@@H](CC(C)C)C(=O)[O-].
What is the InChIKey of (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate?
The InChIKey is ASABHDOMTTZJIO-RYUDHWBXSA-M. The full InChI is InChI=1S/C14H26N2O3/c1-4-11-7-5-6-8-16(11)14(19)15-12(13(17)18)9-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/p-1/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate?
(2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate has a molecular weight of 269.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate is sourced from PubChem (CID 6956248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).