2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide

C10H19N3O4 — CID 106298860

IUPAC2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
SMILESNC(=O)CC(N)C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C10H19N3O4/c11-7(5-8(12)15)9(16)13-10(6-14)1-3-17-4-2-10/h7,14H,1-6,11H2,(H2,12,15)(H,13,16)
InChIKeySSJWRPPFWCWBSN-UHFFFAOYSA-N
MW245.28 g/mol
LogP-2.15
Rot. Bonds5

About 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide (PubChem CID 106298860) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
PubChem CID106298860
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
SMILESNC(=O)CC(N)C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C10H19N3O4/c11-7(5-8(12)15)9(16)13-10(6-14)1-3-17-4-2-10/h7,14H,1-6,11H2,(H2,12,15)(H,13,16)
InChIKeySSJWRPPFWCWBSN-UHFFFAOYSA-N
XLogP-2.15
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide 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

2-amino-N-[3-(hydroxymethyl)pentan-3-yl]butanediamide
CID 62521233
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]butanediamide
CID 81130289
(2R)-4-amino-2-[(4-aminooxane-4-carbonyl)amino]-4-oxobutanoic acid
CID 103870266
4-amino-N-(4-hydroxy-1-methoxybutan-2-yl)oxane-4-carboxamide
CID 103950695
N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 103954262
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)butanediamide
CID 106176144
2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide
CID 106297435
3-[[4-(Hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 106297457
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-pentan-2-ylpropanamide
CID 106297462
3-[[4-(Hydroxymethyl)oxan-4-yl]amino]pyrrolidine-2,5-dione
CID 106297584
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(3-methoxypropyl)propanamide
CID 106297608
N-tert-butyl-2-[[4-(hydroxymethyl)oxan-4-yl]amino]propanamide
CID 106297632

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide?
The IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide (CID 106298860) is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide.
What is the SMILES notation for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide?
The canonical SMILES for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide is NC(=O)CC(N)C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide?
The InChIKey is SSJWRPPFWCWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c11-7(5-8(12)15)9(16)13-10(6-14)1-3-17-4-2-10/h7,14H,1-6,11H2,(H2,12,15)(H,13,16).
What are the key properties of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide?
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide has a molecular weight of 245.28 g/mol, XLogP of -2.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide is sourced from PubChem (CID 106298860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).