(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide

C14H23N3O2 — CID 79023553

IUPAC(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCC[C@H](N)C(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C14H23N3O2/c1-2-11(15)14(18)16-10-12(13-6-5-9-19-13)17-7-3-4-8-17/h5-6,9,11-12H,2-4,7-8,10,15H2,1H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyLIGLOUBFUAPZAP-PXYINDEMSA-N
MW265.36 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide

(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 79023553) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID79023553
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCC[C@H](N)C(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C14H23N3O2/c1-2-11(15)14(18)16-10-12(13-6-5-9-19-13)17-7-3-4-8-17/h5-6,9,11-12H,2-4,7-8,10,15H2,1H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyLIGLOUBFUAPZAP-PXYINDEMSA-N
XLogP1.27
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pentanamide
CID 107569214
2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxypropanamide
CID 81088845
(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
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 40613576
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpentanamide
CID 61247932
(2R)-2-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 94956250
2-(diethylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 56538321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide (CID 79023553) is (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide is CC[C@H](N)C(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is LIGLOUBFUAPZAP-PXYINDEMSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-11(15)14(18)16-10-12(13-6-5-9-19-13)17-7-3-4-8-17/h5-6,9,11-12H,2-4,7-8,10,15H2,1H3,(H,16,18)/t11-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 265.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 79023553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).