(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide

C13H21N3O3 — CID 82961514

IUPAC(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCCc1ccco1
InChIInChI=1S/C13H21N3O3/c1-9(2)12(14)13(18)16-8-11(17)15-6-5-10-4-3-7-19-10/h3-4,7,9,12H,5-6,8,14H2,1-2H3,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyIDPPVASDBNTOKU-LBPRGKRZSA-N
MW267.33 g/mol
LogP0.04
Rot. Bonds7

About (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961514) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82961514
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCCc1ccco1
InChIInChI=1S/C13H21N3O3/c1-9(2)12(14)13(18)16-8-11(17)15-6-5-10-4-3-7-19-10/h3-4,7,9,12H,5-6,8,14H2,1-2H3,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyIDPPVASDBNTOKU-LBPRGKRZSA-N
XLogP0.04
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
(2S,3S)-2-amino-N-[2-(furan-2-yl)ethyl]-3-methylpentanamide
CID 61156256
2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]acetamide
CID 60847606
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963604
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
CID 64895823
(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 71257877
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide (CID 82961514) is (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)NCCc1ccco1.
What is the InChIKey of (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is IDPPVASDBNTOKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)12(14)13(18)16-8-11(17)15-6-5-10-4-3-7-19-10/h3-4,7,9,12H,5-6,8,14H2,1-2H3,(H,15,17)(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 267.33 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).