[(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid

C17H17N5O3 — CID 142702656

IUPAC[(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESNc1n[nH]c2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)O)ccc12
InChIInChI=1S/C17H17N5O3/c18-15-12-7-6-11(9-13(12)21-22-15)19-16(23)14(20-17(24)25)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,19,23)(H,24,25)(H3,18,21,22)/t14-/m0/s1
InChIKeyHNIREBHYEXSLJQ-AWEZNQCLSA-N
MW339.36 g/mol
LogP1.96
Rot. Bonds5

About [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid

[(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 142702656) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
PubChem CID142702656
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name[(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESNc1n[nH]c2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)O)ccc12
InChIInChI=1S/C17H17N5O3/c18-15-12-7-6-11(9-13(12)21-22-15)19-16(23)14(20-17(24)25)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,19,23)(H,24,25)(H3,18,21,22)/t14-/m0/s1
InChIKeyHNIREBHYEXSLJQ-AWEZNQCLSA-N
XLogP1.96
TPSA133.13 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid
CID 68818606
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 69066647
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 91699856
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid
CID 166801916
(3-carbamoyl-1H-indazol-5-yl)carbamic acid
CID 151772440
benzyl N-[1-(3,4-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 43007898
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110
(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 30475898

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 142702656) is [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid is Nc1n[nH]c2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)O)ccc12.
What is the InChIKey of [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is HNIREBHYEXSLJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N5O3/c18-15-12-7-6-11(9-13(12)21-22-15)19-16(23)14(20-17(24)25)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,19,23)(H,24,25)(H3,18,21,22)/t14-/m0/s1.
What are the key properties of [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
[(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 339.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(3-amino-1H-indazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 142702656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).