(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide

C12H25N3O2 — CID 104921013

IUPAC(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
SMILESCCN1CCOC(CNC(=O)[C@H](N)C(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-4-15-5-6-17-10(8-15)7-14-12(16)11(13)9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyDPBZXJULXZEZOU-RRKGBCIJSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds5

About (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide

(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide (PubChem CID 104921013) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
PubChem CID104921013
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
SMILESCCN1CCOC(CNC(=O)[C@H](N)C(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-4-15-5-6-17-10(8-15)7-14-12(16)11(13)9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyDPBZXJULXZEZOU-RRKGBCIJSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 104921095
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
CID 114400927
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114399963
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 104921088

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide (CID 104921013) is (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide is CCN1CCOC(CNC(=O)[C@H](N)C(C)C)C1.
What is the InChIKey of (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide?
The InChIKey is DPBZXJULXZEZOU-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-15-5-6-17-10(8-15)7-14-12(16)11(13)9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide?
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 104921013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).