(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide

C14H27N3O3 — CID 103885066

IUPAC(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCC1(C)CCOCC1
InChIInChI=1S/C14H27N3O3/c1-10(2)12(15)13(19)16-8-11(18)17-9-14(3)4-6-20-7-5-14/h10,12H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyDOPOOROFOXBVIM-LBPRGKRZSA-N
MW285.39 g/mol
LogP0.02
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide

(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide (PubChem CID 103885066) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
PubChem CID103885066
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCC1(C)CCOCC1
InChIInChI=1S/C14H27N3O3/c1-10(2)12(15)13(19)16-8-11(18)17-9-14(3)4-6-20-7-5-14/h10,12H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyDOPOOROFOXBVIM-LBPRGKRZSA-N
XLogP0.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide with MolForge

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Related Compounds

3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 114125228
2-(ethylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103812942
(2S)-2-amino-3-methyl-N-[2-[(2-methylthiolan-2-yl)methylamino]-2-oxoethyl]butanamide
CID 82961485
4-[[(2-amino-3-methylbutanoyl)amino]methyl]oxane-4-carboxylic acid
CID 113310182
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82962021
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103843990
2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
CID 103827766
(2S)-2-amino-3-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide;dihydrochloride
CID 119863888
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742628
(2S)-2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide (CID 103885066) is (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide is CC(C)[C@H](N)C(=O)NCC(=O)NCC1(C)CCOCC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide?
The InChIKey is DOPOOROFOXBVIM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(2)12(15)13(19)16-8-11(18)17-9-14(3)4-6-20-7-5-14/h10,12H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide has a molecular weight of 285.39 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 103885066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).