(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide

C15H23N3O3 — CID 82963604

IUPAC(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C15H23N3O3/c1-10(2)14(16)15(20)17-8-13(19)18(11-5-6-11)9-12-4-3-7-21-12/h3-4,7,10-11,14H,5-6,8-9,16H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyWQPSPYJCTQLKAT-AWEZNQCLSA-N
MW293.37 g/mol
LogP0.87
Rot. Bonds7

About (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82963604) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82963604
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C15H23N3O3/c1-10(2)14(16)15(20)17-8-13(19)18(11-5-6-11)9-12-4-3-7-21-12/h3-4,7,10-11,14H,5-6,8-9,16H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyWQPSPYJCTQLKAT-AWEZNQCLSA-N
XLogP0.87
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54870592
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048
(2S)-2-amino-N-[2-[cyclopropyl(cyclopropylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961326
(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82961514
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
CID 81087169
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 82012609
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963767

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82963604) is (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N(Cc1ccco1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is WQPSPYJCTQLKAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)14(16)15(20)17-8-13(19)18(11-5-6-11)9-12-4-3-7-21-12/h3-4,7,10-11,14H,5-6,8-9,16H2,1-2H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 293.37 g/mol, XLogP of 0.87, 7 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-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82963604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).