[(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid

C14H19N5O3 — CID 90892202

IUPAC[(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid
SMILESNCCCC[C@H](NC(=O)O)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N5O3/c15-6-2-1-3-12(18-14(21)22)13(20)17-10-4-5-11-9(7-10)8-16-19-11/h4-5,7-8,12,18H,1-3,6,15H2,(H,16,19)(H,17,20)(H,21,22)/t12-/m0/s1
InChIKeyDPKXCUAWEIVECO-LBPRGKRZSA-N
MW305.34 g/mol
LogP1.27
Rot. Bonds7

About [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid

[(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid (PubChem CID 90892202) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid
PubChem CID90892202
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name[(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid
SMILESNCCCC[C@H](NC(=O)O)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H19N5O3/c15-6-2-1-3-12(18-14(21)22)13(20)17-10-4-5-11-9(7-10)8-16-19-11/h4-5,7-8,12,18H,1-3,6,15H2,(H,16,19)(H,17,20)(H,21,22)/t12-/m0/s1
InChIKeyDPKXCUAWEIVECO-LBPRGKRZSA-N
XLogP1.27
TPSA133.13 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(1H-indazol-5-yl)-2-methylheptanamide
CID 65290989
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
CID 65224950
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
N-[(2R)-1-(1H-indazol-5-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 97072071
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide
CID 71943301
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098
(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82963463
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
[(2S)-6-amino-1-(2-methylanilino)-1-oxohexan-2-yl]carbamic acid
CID 91260086
(2R)-6-amino-N-[4-[bis[4-[[(2R)-6-amino-2-[(2-pyridin-4-ylacetyl)amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[(2-pyridin-4-ylacetyl)amino]hexanamide
CID 87971224

Frequently Asked Questions

What is the IUPAC name of [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid?
The IUPAC name of [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid (CID 90892202) is [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid is NCCCC[C@H](NC(=O)O)C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid?
The InChIKey is DPKXCUAWEIVECO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O3/c15-6-2-1-3-12(18-14(21)22)13(20)17-10-4-5-11-9(7-10)8-16-19-11/h4-5,7-8,12,18H,1-3,6,15H2,(H,16,19)(H,17,20)(H,21,22)/t12-/m0/s1.
What are the key properties of [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid?
[(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid has a molecular weight of 305.34 g/mol, XLogP of 1.27, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 90892202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).