2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide

C10H20N2O3 — CID 106101609

IUPAC2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
SMILESCCC(N)C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C10H20N2O3/c1-3-8(11)9(13)12-6-10(14)4-5-15-7(10)2/h7-8,14H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyGISCKMDNKNNMBB-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.62
Rot. Bonds4

About 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide

2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide (PubChem CID 106101609) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
PubChem CID106101609
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
SMILESCCC(N)C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C10H20N2O3/c1-3-8(11)9(13)12-6-10(14)4-5-15-7(10)2/h7-8,14H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyGISCKMDNKNNMBB-UHFFFAOYSA-N
XLogP-0.62
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
CID 107330119
6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
CID 106101679
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161
3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide
CID 106101613
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
CID 114143597
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101086
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101708
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106101660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The IUPAC name of 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide (CID 106101609) is 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The canonical SMILES for 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide is CCC(N)C(=O)NCC1(O)CCOC1C.
What is the InChIKey of 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The InChIKey is GISCKMDNKNNMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-8(11)9(13)12-6-10(14)4-5-15-7(10)2/h7-8,14H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide has a molecular weight of 216.28 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 106101609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).