4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide

C15H29N5O3 — CID 170598169

IUPAC4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide
SMILESNCCC(NC(=O)CN)C(=O)NC(CC1CCCCC1)C(N)=O
InChIInChI=1S/C15H29N5O3/c16-7-6-11(19-13(21)9-17)15(23)20-12(14(18)22)8-10-4-2-1-3-5-10/h10-12H,1-9,16-17H2,(H2,18,22)(H,19,21)(H,20,23)
InChIKeyDTMQFWQLUHYHGZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP-1.28
Rot. Bonds9

About 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide

4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide (PubChem CID 170598169) has the molecular formula C15H29N5O3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide
PubChem CID170598169
Molecular FormulaC15H29N5O3
Molecular Weight327.43 g/mol
Exact Mass327.23
IUPAC Name4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide
SMILESNCCC(NC(=O)CN)C(=O)NC(CC1CCCCC1)C(N)=O
InChIInChI=1S/C15H29N5O3/c16-7-6-11(19-13(21)9-17)15(23)20-12(14(18)22)8-10-4-2-1-3-5-10/h10-12H,1-9,16-17H2,(H2,18,22)(H,19,21)(H,20,23)
InChIKeyDTMQFWQLUHYHGZ-UHFFFAOYSA-N
XLogP-1.28
TPSA153.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide?
The IUPAC name of 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide (CID 170598169) is 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide.
What is the SMILES notation for 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide?
The canonical SMILES for 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide is NCCC(NC(=O)CN)C(=O)NC(CC1CCCCC1)C(N)=O.
What is the InChIKey of 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide?
The InChIKey is DTMQFWQLUHYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O3/c16-7-6-11(19-13(21)9-17)15(23)20-12(14(18)22)8-10-4-2-1-3-5-10/h10-12H,1-9,16-17H2,(H2,18,22)(H,19,21)(H,20,23).
What are the key properties of 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide?
4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide has a molecular weight of 327.43 g/mol, XLogP of -1.28, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide is sourced from PubChem (CID 170598169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).