(2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid

C14H17N3O4 — CID 103870152

IUPAC(2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C14H17N3O4/c15-12(18)6-11(14(20)21)17-13(19)5-8-7-16-10-4-2-1-3-9(8)10/h1-4,8,11,16H,5-7H2,(H2,15,18)(H,17,19)(H,20,21)/t8?,11-/m0/s1
InChIKeyHFTNOKDZHBZZPO-LYNSQETBSA-N
MW291.31 g/mol
LogP0.03
Rot. Bonds6

About (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid

(2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid (PubChem CID 103870152) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid
PubChem CID103870152
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name(2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C14H17N3O4/c15-12(18)6-11(14(20)21)17-13(19)5-8-7-16-10-4-2-1-3-9(8)10/h1-4,8,11,16H,5-7H2,(H2,15,18)(H,17,19)(H,20,21)/t8?,11-/m0/s1
InChIKeyHFTNOKDZHBZZPO-LYNSQETBSA-N
XLogP0.03
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid (CID 103870152) is (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid is NC(=O)C[C@H](NC(=O)CC1CNc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is HFTNOKDZHBZZPO-LYNSQETBSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-12(18)6-11(14(20)21)17-13(19)5-8-7-16-10-4-2-1-3-9(8)10/h1-4,8,11,16H,5-7H2,(H2,15,18)(H,17,19)(H,20,21)/t8?,11-/m0/s1.
What are the key properties of (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 103870152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).