(2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C16H29N5O — CID 56720115

IUPAC(2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@H](N)CN1Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C16H29N5O/c1-10(2)18-15(22)13-6-11(17)8-21(13)9-12-7-14(20-19-12)16(3,4)5/h7,10-11,13H,6,8-9,17H2,1-5H3,(H,18,22)(H,19,20)/t11-,13-/m0/s1
InChIKeyYKULQFIVOJBWML-AAEUAGOBSA-N
MW307.44 g/mol
LogP1.13
Rot. Bonds4

About (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56720115) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56720115
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name(2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@H](N)CN1Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C16H29N5O/c1-10(2)18-15(22)13-6-11(17)8-21(13)9-12-7-14(20-19-12)16(3,4)5/h7,10-11,13H,6,8-9,17H2,1-5H3,(H,18,22)(H,19,20)/t11-,13-/m0/s1
InChIKeyYKULQFIVOJBWML-AAEUAGOBSA-N
XLogP1.13
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56720115) is (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1C[C@H](N)CN1Cc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is YKULQFIVOJBWML-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H29N5O/c1-10(2)18-15(22)13-6-11(17)8-21(13)9-12-7-14(20-19-12)16(3,4)5/h7,10-11,13H,6,8-9,17H2,1-5H3,(H,18,22)(H,19,20)/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56720115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).