N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide

C13H25N5O6 — CID 172523376

IUPACN-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide
SMILESCCOCCOCCOCCOCCC(=O)N[C@@H](N=[N+]=[N-])C(N)=O
InChIInChI=1S/C13H25N5O6/c1-2-21-5-6-23-9-10-24-8-7-22-4-3-11(19)16-13(12(14)20)17-18-15/h13H,2-10H2,1H3,(H2,14,20)(H,16,19)/t13-/m0/s1
InChIKeyDINREJAWBLRIPL-ZDUSSCGKSA-N
MW347.37 g/mol
LogP-0.30
Rot. Bonds16

About N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide

N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide (PubChem CID 172523376) has the molecular formula C13H25N5O6 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide
PubChem CID172523376
Molecular FormulaC13H25N5O6
Molecular Weight347.37 g/mol
Exact Mass347.18
IUPAC NameN-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide
SMILESCCOCCOCCOCCOCCC(=O)N[C@@H](N=[N+]=[N-])C(N)=O
InChIInChI=1S/C13H25N5O6/c1-2-21-5-6-23-9-10-24-8-7-22-4-3-11(19)16-13(12(14)20)17-18-15/h13H,2-10H2,1H3,(H2,14,20)(H,16,19)/t13-/m0/s1
InChIKeyDINREJAWBLRIPL-ZDUSSCGKSA-N
XLogP-0.30
TPSA157.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 138457298
CID 138457298
CID 161576810
CID 161576810
CID 166765599
CID 166765599
CID 166876148
CID 166876148
CID 171612900
CID 171612900
CID 172523374
CID 172523374
CID 175915335
CID 175915335
CID 175998269
CID 175998269
CID 103604491
CID 103604491
CID 103605668
CID 103605668
CID 103605683
CID 103605683
CID 103605696
CID 103605696

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide?
The IUPAC name of N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide (CID 172523376) is N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide?
The canonical SMILES for N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide is CCOCCOCCOCCOCCC(=O)N[C@@H](N=[N+]=[N-])C(N)=O.
What is the InChIKey of N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide?
The InChIKey is DINREJAWBLRIPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25N5O6/c1-2-21-5-6-23-9-10-24-8-7-22-4-3-11(19)16-13(12(14)20)17-18-15/h13H,2-10H2,1H3,(H2,14,20)(H,16,19)/t13-/m0/s1.
What are the key properties of N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide?
N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide has a molecular weight of 347.37 g/mol, XLogP of -0.30, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide is sourced from PubChem (CID 172523376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).