(1H-indol-3-ylamino)carbamic acid

C9H9N3O2 — CID 150338134

IUPAC(1H-indol-3-ylamino)carbamic acid
SMILESO=C(O)NNc1c[nH]c2ccccc12
InChIInChI=1S/C9H9N3O2/c13-9(14)12-11-8-5-10-7-4-2-1-3-6(7)8/h1-5,10-12H,(H,13,14)
InChIKeyGRCTVOGHDVQLPB-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.76
Rot. Bonds2

About (1H-indol-3-ylamino)carbamic acid

(1H-indol-3-ylamino)carbamic acid (PubChem CID 150338134) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (1H-indol-3-ylamino)carbamic acid.

Molecular Properties

Compound Name(1H-indol-3-ylamino)carbamic acid
PubChem CID150338134
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(1H-indol-3-ylamino)carbamic acid
SMILESO=C(O)NNc1c[nH]c2ccccc12
InChIInChI=1S/C9H9N3O2/c13-9(14)12-11-8-5-10-7-4-2-1-3-6(7)8/h1-5,10-12H,(H,13,14)
InChIKeyGRCTVOGHDVQLPB-UHFFFAOYSA-N
XLogP1.76
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-3-ylcarbamic acid
CID 66672709
N-methyl-1H-indol-3-amine;oxalic acid
CID 69068496
(2S)-2-amino-2-(1H-indol-3-ylamino)acetic acid
CID 177285146
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
3-(1H-indol-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163934
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
N-(1H-indol-3-yl)-2-methyl-2-(methylamino)propanamide
CID 115165574
N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879

Frequently Asked Questions

What is the IUPAC name of (1H-indol-3-ylamino)carbamic acid?
The IUPAC name of (1H-indol-3-ylamino)carbamic acid (CID 150338134) is (1H-indol-3-ylamino)carbamic acid.
What is the SMILES notation for (1H-indol-3-ylamino)carbamic acid?
The canonical SMILES for (1H-indol-3-ylamino)carbamic acid is O=C(O)NNc1c[nH]c2ccccc12.
What is the InChIKey of (1H-indol-3-ylamino)carbamic acid?
The InChIKey is GRCTVOGHDVQLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-9(14)12-11-8-5-10-7-4-2-1-3-6(7)8/h1-5,10-12H,(H,13,14).
What are the key properties of (1H-indol-3-ylamino)carbamic acid?
(1H-indol-3-ylamino)carbamic acid has a molecular weight of 191.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1H-indol-3-ylamino)carbamic acid is sourced from PubChem (CID 150338134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).