2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid

C19H25N3O5 — CID 4837910

IUPAC2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
SMILESCOc1ccc2c(c1)cc(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)n2C
InChIInChI=1S/C19H25N3O5/c1-11(2)7-14(18(25)20-10-17(23)24)21-19(26)16-9-12-8-13(27-4)5-6-15(12)22(16)3/h5-6,8-9,11,14H,7,10H2,1-4H3,(H,20,25)(H,21,26)(H,23,24)
InChIKeyAKNMMEISHJLAPQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.53
Rot. Bonds8

About 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid

2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid (PubChem CID 4837910) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
PubChem CID4837910
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
SMILESCOc1ccc2c(c1)cc(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)n2C
InChIInChI=1S/C19H25N3O5/c1-11(2)7-14(18(25)20-10-17(23)24)21-19(26)16-9-12-8-13(27-4)5-6-15(12)22(16)3/h5-6,8-9,11,14H,7,10H2,1-4H3,(H,20,25)(H,21,26)(H,23,24)
InChIKeyAKNMMEISHJLAPQ-UHFFFAOYSA-N
XLogP1.53
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid with MolForge

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Related Compounds

N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid
CID 4967330
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid
CID 4868507
2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]acetic acid
CID 7070087
(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoate
CID 7070170
2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 4908213
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
CID 42537191
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide
CID 97130600
2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
CID 4837794
5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
CID 97112460
2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 4964698

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid (CID 4837910) is 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid is COc1ccc2c(c1)cc(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)n2C.
What is the InChIKey of 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid?
The InChIKey is AKNMMEISHJLAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-11(2)7-14(18(25)20-10-17(23)24)21-19(26)16-9-12-8-13(27-4)5-6-15(12)22(16)3/h5-6,8-9,11,14H,7,10H2,1-4H3,(H,20,25)(H,21,26)(H,23,24).
What are the key properties of 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid?
2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid has a molecular weight of 375.43 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid is sourced from PubChem (CID 4837910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).