(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide

C17H27N3O3 — CID 40613576

IUPAC(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)NC[C@H](c1ccco1)N1CCCC1)C(C)C
InChIInChI=1S/C17H27N3O3/c1-12(2)16(19-13(3)21)17(22)18-11-14(15-7-6-10-23-15)20-8-4-5-9-20/h6-7,10,12,14,16H,4-5,8-9,11H2,1-3H3,(H,18,22)(H,19,21)/t14-,16+/m1/s1
InChIKeyMZLSXDXRTFGYQK-ZBFHGGJFSA-N
MW321.42 g/mol
LogP1.69
Rot. Bonds7

About (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide

(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide (PubChem CID 40613576) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
PubChem CID40613576
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)NC[C@H](c1ccco1)N1CCCC1)C(C)C
InChIInChI=1S/C17H27N3O3/c1-12(2)16(19-13(3)21)17(22)18-11-14(15-7-6-10-23-15)20-8-4-5-9-20/h6-7,10,12,14,16H,4-5,8-9,11H2,1-3H3,(H,18,22)(H,19,21)/t14-,16+/m1/s1
InChIKeyMZLSXDXRTFGYQK-ZBFHGGJFSA-N
XLogP1.69
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide with MolForge

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Related Compounds

N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2481546
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 79023553
2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxypropanamide
CID 81088845
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pentanamide
CID 107569214
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
(2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 94821466
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001979
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide (CID 40613576) is (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide is CC(=O)N[C@H](C(=O)NC[C@H](c1ccco1)N1CCCC1)C(C)C.
What is the InChIKey of (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide?
The InChIKey is MZLSXDXRTFGYQK-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)16(19-13(3)21)17(22)18-11-14(15-7-6-10-23-15)20-8-4-5-9-20/h6-7,10,12,14,16H,4-5,8-9,11H2,1-3H3,(H,18,22)(H,19,21)/t14-,16+/m1/s1.
What are the key properties of (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide?
(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide has a molecular weight of 321.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide is sourced from PubChem (CID 40613576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).