(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide

C11H23N3O — CID 61145692

IUPAC(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H23N3O/c1-8(2)14-6-4-10(5-7-14)13-11(15)9(3)12/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyPOHUAUUGHCAMTM-VIFPVBQESA-N
MW213.32 g/mol
LogP0.32
Rot. Bonds3

About (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide

(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 61145692) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID61145692
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H23N3O/c1-8(2)14-6-4-10(5-7-14)13-11(15)9(3)12/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyPOHUAUUGHCAMTM-VIFPVBQESA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 61145692) is (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide is CC(C)N1CCC(NC(=O)[C@H](C)N)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is POHUAUUGHCAMTM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)14-6-4-10(5-7-14)13-11(15)9(3)12/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 213.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 61145692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).