2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate

C15H29N3O5 — CID 23276218

IUPAC2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate
SMILESCCC(C)C([NH3+])C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)[O-]
InChIInChI=1S/C15H29N3O5/c1-5-9(4)12(16)14(21)18-11(7-19)13(20)17-10(15(22)23)6-8(2)3/h8-12,19H,5-7,16H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)
InChIKeyPELCGFMHLZXWBQ-UHFFFAOYSA-N
MW331.41 g/mol
LogP-2.60
Rot. Bonds10

About 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate

2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate (PubChem CID 23276218) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Name2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate
PubChem CID23276218
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Name2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate
SMILESCCC(C)C([NH3+])C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)[O-]
InChIInChI=1S/C15H29N3O5/c1-5-9(4)12(16)14(21)18-11(7-19)13(20)17-10(15(22)23)6-8(2)3/h8-12,19H,5-7,16H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)
InChIKeyPELCGFMHLZXWBQ-UHFFFAOYSA-N
XLogP-2.60
TPSA146.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-3-hydroxypropanoate;trihydrate
CID 139059604
(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate
CID 6992389
(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate
CID 7015686
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butanoic acid
CID 10831362
(2S)-2-[[(2R)-butan-2-yl]carbamoylamino]-4-methylpentanoate
CID 7529479
2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid
CID 18488981
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18297615
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid
CID 18300641
6-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
CID 18295711
(2S)-2-[[(2S)-2-azaniumyl-5-(diaminomethylideneazaniumyl)pentanoyl]amino]-4-methylpentanoate
CID 6992562
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
CID 18297507
2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18252679

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate?
The IUPAC name of 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate (CID 23276218) is 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate.
What is the SMILES notation for 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate?
The canonical SMILES for 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate is CCC(C)C([NH3+])C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)[O-].
What is the InChIKey of 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate?
The InChIKey is PELCGFMHLZXWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-5-9(4)12(16)14(21)18-11(7-19)13(20)17-10(15(22)23)6-8(2)3/h8-12,19H,5-7,16H2,1-4H3,(H,17,20)(H,18,21)(H,22,23).
What are the key properties of 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate?
2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate has a molecular weight of 331.41 g/mol, XLogP of -2.60, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 23276218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).