2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide

C11H21N3O3 — CID 103827766

IUPAC2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
SMILESCC1(CNC(=O)C(N)CC(N)=O)CCOCC1
InChIInChI=1S/C11H21N3O3/c1-11(2-4-17-5-3-11)7-14-10(16)8(12)6-9(13)15/h8H,2-7,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyHRNNDDVPZGTOAQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.88
Rot. Bonds5

About 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide

2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide (PubChem CID 103827766) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
PubChem CID103827766
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
SMILESCC1(CNC(=O)C(N)CC(N)=O)CCOCC1
InChIInChI=1S/C11H21N3O3/c1-11(2-4-17-5-3-11)7-14-10(16)8(12)6-9(13)15/h8H,2-7,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyHRNNDDVPZGTOAQ-UHFFFAOYSA-N
XLogP-0.88
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
3-[(4-methyloxan-4-yl)methylamino]butanamide
CID 115893031
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
CID 113450284
3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 114125228
2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742628
(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
CID 103885066
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
CID 106298860
2-(4-methyloxan-4-yl)acetamide
CID 137499101
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
1-carbamothioyl-N-[(4-methyloxan-4-yl)methyl]cyclobutane-1-carboxamide
CID 114125500
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 119886716

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide?
The IUPAC name of 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide (CID 103827766) is 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide.
What is the SMILES notation for 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide?
The canonical SMILES for 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide is CC1(CNC(=O)C(N)CC(N)=O)CCOCC1.
What is the InChIKey of 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide?
The InChIKey is HRNNDDVPZGTOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2-4-17-5-3-11)7-14-10(16)8(12)6-9(13)15/h8H,2-7,12H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide?
2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide has a molecular weight of 243.31 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide is sourced from PubChem (CID 103827766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).