2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate

C17H30N4O6 — CID 162065757

IUPAC2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate
SMILESC=CCOC(=O)NCC(=O)NCC(=O)NCCCNCC(=O)OCC(C)C
InChIInChI=1S/C17H30N4O6/c1-4-8-26-17(25)21-10-15(23)20-9-14(22)19-7-5-6-18-11-16(24)27-12-13(2)3/h4,13,18H,1,5-12H2,2-3H3,(H,19,22)(H,20,23)(H,21,25)
InChIKeyZAKXOANMWSAFQD-UHFFFAOYSA-N
MW386.45 g/mol
LogP-0.69
Rot. Bonds14

About 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate

2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate (PubChem CID 162065757) has the molecular formula C17H30N4O6 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate
PubChem CID162065757
Molecular FormulaC17H30N4O6
Molecular Weight386.45 g/mol
Exact Mass386.22
IUPAC Name2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate
SMILESC=CCOC(=O)NCC(=O)NCC(=O)NCCCNCC(=O)OCC(C)C
InChIInChI=1S/C17H30N4O6/c1-4-8-26-17(25)21-10-15(23)20-9-14(22)19-7-5-6-18-11-16(24)27-12-13(2)3/h4,13,18H,1,5-12H2,2-3H3,(H,19,22)(H,20,23)(H,21,25)
InChIKeyZAKXOANMWSAFQD-UHFFFAOYSA-N
XLogP-0.69
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate with MolForge

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Related Compounds

2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
tert-butyl 2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetate
CID 11097680
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805
prop-2-enyl N-[3-[(2-bromoacetyl)amino]propyl]carbamate
CID 140660586
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
ethyl 2-(hex-5-enylamino)acetate
CID 10867857
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
prop-2-enyl N-[2-(chloromethylamino)-2-oxoethyl]carbamate
CID 167508048
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl 4-(pentanoylamino)butanoate
CID 58096464
prop-2-enyl N-(4-acetamidobutyl)carbamate
CID 54178304

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate?
The IUPAC name of 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate (CID 162065757) is 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate?
The canonical SMILES for 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate is C=CCOC(=O)NCC(=O)NCC(=O)NCCCNCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate?
The InChIKey is ZAKXOANMWSAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O6/c1-4-8-26-17(25)21-10-15(23)20-9-14(22)19-7-5-6-18-11-16(24)27-12-13(2)3/h4,13,18H,1,5-12H2,2-3H3,(H,19,22)(H,20,23)(H,21,25).
What are the key properties of 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate?
2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate has a molecular weight of 386.45 g/mol, XLogP of -0.69, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[3-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propylamino]acetate is sourced from PubChem (CID 162065757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).