2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide

C11H16N6O — CID 146248075

IUPAC2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide
SMILES[N-]=[N+]=NC[C@@H](N)Cc1ccc(NC(=O)CN)cc1
InChIInChI=1S/C11H16N6O/c12-6-11(18)16-10-3-1-8(2-4-10)5-9(13)7-15-17-14/h1-4,9H,5-7,12-13H2,(H,16,18)/t9-/m0/s1
InChIKeyXTHAXNPLDODOHD-VIFPVBQESA-N
MW248.29 g/mol
LogP0.76
Rot. Bonds6

About 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide

2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide (PubChem CID 146248075) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide
PubChem CID146248075
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide
SMILES[N-]=[N+]=NC[C@@H](N)Cc1ccc(NC(=O)CN)cc1
InChIInChI=1S/C11H16N6O/c12-6-11(18)16-10-3-1-8(2-4-10)5-9(13)7-15-17-14/h1-4,9H,5-7,12-13H2,(H,16,18)/t9-/m0/s1
InChIKeyXTHAXNPLDODOHD-VIFPVBQESA-N
XLogP0.76
TPSA129.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

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CID 141240691
1-azido-3-(4-methoxyphenyl)propan-2-amine
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CID 144997622
3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride
CID 54611935
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-azido-N-(4-propylphenyl)acetamide
CID 61374209
N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
CID 71050354
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-[4-(2-amino-4-methylpentyl)phenyl]-2-methoxyacetamide
CID 82259972
3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide
CID 167968472
(3S)-3-amino-4-azido-2-benzylbutanoic acid
CID 142639900
N-[4-(2-azidoacetyl)phenyl]propanamide
CID 98883079

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide (CID 146248075) is 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide is [N-]=[N+]=NC[C@@H](N)Cc1ccc(NC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide?
The InChIKey is XTHAXNPLDODOHD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N6O/c12-6-11(18)16-10-3-1-8(2-4-10)5-9(13)7-15-17-14/h1-4,9H,5-7,12-13H2,(H,16,18)/t9-/m0/s1.
What are the key properties of 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide?
2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide has a molecular weight of 248.29 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide is sourced from PubChem (CID 146248075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).