(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide

C17H25N3O — CID 59904522

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C17H25N3O/c1-11(2)20(12(3)4)17(21)15(18)9-13-10-19-16-8-6-5-7-14(13)16/h5-8,10-12,15,19H,9,18H2,1-4H3/t15-/m0/s1
InChIKeyKBVXCXVLQOMAAD-HNNXBMFYSA-N
MW287.41 g/mol
LogP2.68
Rot. Bonds5

About (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide (PubChem CID 59904522) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
PubChem CID59904522
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C17H25N3O/c1-11(2)20(12(3)4)17(21)15(18)9-13-10-19-16-8-6-5-7-14(13)16/h5-8,10-12,15,19H,9,18H2,1-4H3/t15-/m0/s1
InChIKeyKBVXCXVLQOMAAD-HNNXBMFYSA-N
XLogP2.68
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910757
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910812
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 119955571
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;methanesulfonic acid
CID 121440286

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide (CID 59904522) is (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide?
The InChIKey is KBVXCXVLQOMAAD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)20(12(3)4)17(21)15(18)9-13-10-19-16-8-6-5-7-14(13)16/h5-8,10-12,15,19H,9,18H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide has a molecular weight of 287.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 59904522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).