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

C15H27N3O3 — CID 82963767

IUPAC(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H27N3O3/c1-10(2)14(16)15(20)17-7-13(19)18(12-3-4-12)8-11-5-6-21-9-11/h10-12,14H,3-9,16H2,1-2H3,(H,17,20)/t11?,14-/m0/s1
InChIKeyFQCLWEUYAZYAAL-IAXJKZSUSA-N
MW297.40 g/mol
LogP0.11
Rot. Bonds7

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

(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82963767) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82963767
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H27N3O3/c1-10(2)14(16)15(20)17-7-13(19)18(12-3-4-12)8-11-5-6-21-9-11/h10-12,14H,3-9,16H2,1-2H3,(H,17,20)/t11?,14-/m0/s1
InChIKeyFQCLWEUYAZYAAL-IAXJKZSUSA-N
XLogP0.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-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

(2S)-2-amino-N-[2-[cyclopropyl(cyclopropylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961326
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963883
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
4-amino-N-cyclopropyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)butanamide
CID 114285592
(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963604
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 81433975
(2S)-2-amino-3-methyl-N-[2-[methyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]butanamide
CID 82961613
N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(oxolan-3-ylmethyl)acetamide
CID 112604701
(2S)-2-amino-N-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82964218
6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
CID 54876447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82963767) is (2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N(CC1CCOC1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is FQCLWEUYAZYAAL-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(2)14(16)15(20)17-7-13(19)18(12-3-4-12)8-11-5-6-21-9-11/h10-12,14H,3-9,16H2,1-2H3,(H,17,20)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 0.11, 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(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82963767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).