(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide

C11H21N3O2 — CID 103930019

IUPAC(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)9(12)10(16)13-6-7-4-5-8(15)14-7/h7,9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t7?,9-/m0/s1
InChIKeyCAALYUJJUTZUOM-NETXQHHPSA-N
MW227.31 g/mol
LogP-0.25
Rot. Bonds3

About (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide (PubChem CID 103930019) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide
PubChem CID103930019
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)9(12)10(16)13-6-7-4-5-8(15)14-7/h7,9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t7?,9-/m0/s1
InChIKeyCAALYUJJUTZUOM-NETXQHHPSA-N
XLogP-0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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L-valyl-L-proline hexylamide
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CID 11637307
(2S)-aminobutyryl-L-prolinamide
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L-leucyl-L-prolinamide
CID 11557656
L-valyl-L-prolinamide
CID 11615440
L-norvalyl-L-prolinamide
CID 11687141
(2S)-N-(2-amino-2-oxoethyl)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]methylamino]pentanamide
CID 131032

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide (CID 103930019) is (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide is CC(C)(C)[C@@H](N)C(=O)NCC1CCC(=O)N1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide?
The InChIKey is CAALYUJJUTZUOM-NETXQHHPSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)9(12)10(16)13-6-7-4-5-8(15)14-7/h7,9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t7?,9-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide has a molecular weight of 227.31 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide is sourced from PubChem (CID 103930019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).