(2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C16H28N4O2 — CID 124862133

IUPAC(2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)N[C@H]1CCC[C@H]1CCO
InChIInChI=1S/C16H28N4O2/c1-11(2)20-15(7-9-17-20)19-16(22)12(3)18-14-6-4-5-13(14)8-10-21/h7,9,11-14,18,21H,4-6,8,10H2,1-3H3,(H,19,22)/t12-,13-,14-/m0/s1
InChIKeyLKQDXJDRPXGVNK-IHRRRGAJSA-N
MW308.43 g/mol
LogP1.93
Rot. Bonds7

About (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 124862133) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID124862133
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)N[C@H]1CCC[C@H]1CCO
InChIInChI=1S/C16H28N4O2/c1-11(2)20-15(7-9-17-20)19-16(22)12(3)18-14-6-4-5-13(14)8-10-21/h7,9,11-14,18,21H,4-6,8,10H2,1-3H3,(H,19,22)/t12-,13-,14-/m0/s1
InChIKeyLKQDXJDRPXGVNK-IHRRRGAJSA-N
XLogP1.93
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 124862133) is (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@H](C)N[C@H]1CCC[C@H]1CCO.
What is the InChIKey of (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is LKQDXJDRPXGVNK-IHRRRGAJSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11(2)20-15(7-9-17-20)19-16(22)12(3)18-14-6-4-5-13(14)8-10-21/h7,9,11-14,18,21H,4-6,8,10H2,1-3H3,(H,19,22)/t12-,13-,14-/m0/s1.
What are the key properties of (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 124862133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).