(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

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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).