2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid

C10H20N2O4 — CID 5074020

IUPAC2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
SMILESCC(C)(C)OC(=O)NCCCNCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-6-4-5-11-7-8(13)14/h11H,4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyHXMZGCLIRQXHSQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.58
Rot. Bonds6

About 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid

2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid (PubChem CID 5074020) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
PubChem CID5074020
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
SMILESCC(C)(C)OC(=O)NCCCNCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-6-4-5-11-7-8(13)14/h11H,4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyHXMZGCLIRQXHSQ-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid 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-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]acetic acid
CID 10423479
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177
tert-butyl N-[3-[3-(tert-butylamino)propylamino]propyl]carbamate
CID 139566779
tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
CID 142525218
tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate
CID 59722489
CID 58849446
CID 58849446
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
3-[2-carboxyethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 169130897

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid?
The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid (CID 5074020) is 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid?
The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid is CC(C)(C)OC(=O)NCCCNCC(=O)O.
What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid?
The InChIKey is HXMZGCLIRQXHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-6-4-5-11-7-8(13)14/h11H,4-7H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid?
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid has a molecular weight of 232.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid is sourced from PubChem (CID 5074020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).