(3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide

C15H17N3O — CID 169148389

IUPAC(3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)C[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c1-2-7-17-15(19)9-12(16)8-11-10-18-14-6-4-3-5-13(11)14/h1,3-6,10,12,18H,7-9,16H2,(H,17,19)/t12-/m1/s1
InChIKeyJIMUCQIAEMCHFZ-GFCCVEGCSA-N
MW255.32 g/mol
LogP1.18
Rot. Bonds5

About (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide

(3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide (PubChem CID 169148389) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide
PubChem CID169148389
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)C[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c1-2-7-17-15(19)9-12(16)8-11-10-18-14-6-4-3-5-13(11)14/h1,3-6,10,12,18H,7-9,16H2,(H,17,19)/t12-/m1/s1
InChIKeyJIMUCQIAEMCHFZ-GFCCVEGCSA-N
XLogP1.18
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(1H-indol-3-yl)butanoic acid;ethane;(2R)-1-(1H-indol-3-yl)pent-4-en-2-amine
CID 142188088
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)-N-pent-4-yn-2-ylpropanamide
CID 104864210
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;methanesulfonic acid
CID 121440286
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
(2S)-2-amino-N-hex-5-yn-3-yl-3-(1H-indol-3-yl)propanamide
CID 104864189

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide?
The IUPAC name of (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide (CID 169148389) is (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide.
What is the SMILES notation for (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide?
The canonical SMILES for (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide is C#CCNC(=O)C[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide?
The InChIKey is JIMUCQIAEMCHFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-7-17-15(19)9-12(16)8-11-10-18-14-6-4-3-5-13(11)14/h1,3-6,10,12,18H,7-9,16H2,(H,17,19)/t12-/m1/s1.
What are the key properties of (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide?
(3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide has a molecular weight of 255.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(1H-indol-3-yl)-N-prop-2-ynylbutanamide is sourced from PubChem (CID 169148389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).