amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate

C12H15N3O2 — CID 57120614

IUPACamino 3-[(2R)-2-aminopropyl]indole-1-carboxylate
SMILESC[C@@H](N)Cc1cn(C(=O)ON)c2ccccc12
InChIInChI=1S/C12H15N3O2/c1-8(13)6-9-7-15(12(16)17-14)11-5-3-2-4-10(9)11/h2-5,7-8H,6,13-14H2,1H3/t8-/m1/s1
InChIKeyVSAQKXXMHQHHKE-MRVPVSSYSA-N
MW233.27 g/mol
LogP1.39
Rot. Bonds2

About amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate

amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate (PubChem CID 57120614) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate.

Molecular Properties

Compound Nameamino 3-[(2R)-2-aminopropyl]indole-1-carboxylate
PubChem CID57120614
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nameamino 3-[(2R)-2-aminopropyl]indole-1-carboxylate
SMILESC[C@@H](N)Cc1cn(C(=O)ON)c2ccccc12
InChIInChI=1S/C12H15N3O2/c1-8(13)6-9-7-15(12(16)17-14)11-5-3-2-4-10(9)11/h2-5,7-8H,6,13-14H2,1H3/t8-/m1/s1
InChIKeyVSAQKXXMHQHHKE-MRVPVSSYSA-N
XLogP1.39
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-aminoacetyl) 3-[(2R)-2-aminopropyl]indole-1-carboxylate
CID 173274623
3-[(2R)-2-aminopropyl]indole-1-carboxylic acid;(2S)-2-(methylamino)propanoic acid
CID 90205467
3-[(2R)-2-aminopropyl]indole-1-carboxylic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 88609118
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
tert-butyl 3-[(2S)-3-amino-2-methyl-3-oxopropyl]indole-1-carboxylate
CID 134493069
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)indole-1-carboxylate
CID 11267120
methyl 3-(aminomethyl)indole-1-carboxylate
CID 155065457
tert-butyl formate;tert-butyl 3-(2-methylpropyl)indole-1-carboxylate
CID 142373045
tert-butyl 3-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]indole-1-carboxylate
CID 155637501
(2S)-2-amino-3-[1-[(2S,3S)-2-amino-3-methylpentanoyl]indol-3-yl]propanoic acid
CID 57263152
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530

Frequently Asked Questions

What is the IUPAC name of amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate?
The IUPAC name of amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate (CID 57120614) is amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate.
What is the SMILES notation for amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate?
The canonical SMILES for amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate is C[C@@H](N)Cc1cn(C(=O)ON)c2ccccc12.
What is the InChIKey of amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate?
The InChIKey is VSAQKXXMHQHHKE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(13)6-9-7-15(12(16)17-14)11-5-3-2-4-10(9)11/h2-5,7-8H,6,13-14H2,1H3/t8-/m1/s1.
What are the key properties of amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate?
amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate is sourced from PubChem (CID 57120614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).