(2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide

C15H30N4O3 — CID 177434550

IUPAC(2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide
SMILESCCCCNC(=O)CC[C@H](NC(=O)CN)C(=O)NCCCC
InChIInChI=1S/C15H30N4O3/c1-3-5-9-17-13(20)8-7-12(19-14(21)11-16)15(22)18-10-6-4-2/h12H,3-11,16H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/t12-/m0/s1
InChIKeyQYNGZEBULSSKRY-LBPRGKRZSA-N
MW314.43 g/mol
LogP0.04
Rot. Bonds12

About (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide

(2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide (PubChem CID 177434550) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide
PubChem CID177434550
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide
SMILESCCCCNC(=O)CC[C@H](NC(=O)CN)C(=O)NCCCC
InChIInChI=1S/C15H30N4O3/c1-3-5-9-17-13(20)8-7-12(19-14(21)11-16)15(22)18-10-6-4-2/h12H,3-11,16H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/t12-/m0/s1
InChIKeyQYNGZEBULSSKRY-LBPRGKRZSA-N
XLogP0.04
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769
(2S)-2-(hexanoylamino)-N,N'-dioctadecylpentanediamide
CID 71380985
(2S)-2-(dodecanoylamino)-N,N'-dioctylpentanediamide
CID 71380986
5-[[(2S)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 10698964
N-[6-[2-(butanoylamino)ethylamino]-5-(octanoylamino)-6-oxohexyl]octanamide
CID 129160890
N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
N-[5-amino-1-(dodecylamino)-1-oxopentan-2-yl]docosanamide;hydrochloride
CID 135364007
N-[6-[2-[[2-(hexadecanoylamino)-5-oxohexanoyl]amino]ethylamino]-2,6-dioxohexan-3-yl]hexadecanamide
CID 59449931
(2S)-N'-butyl-2-(butylamino)pentanediamide
CID 102108641
(4S)-4-(dodecanoylamino)-5-(dodecylamino)-5-oxopentanoic acid
CID 71347197
4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 59935089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide (CID 177434550) is (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide is CCCCNC(=O)CC[C@H](NC(=O)CN)C(=O)NCCCC.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide?
The InChIKey is QYNGZEBULSSKRY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-3-5-9-17-13(20)8-7-12(19-14(21)11-16)15(22)18-10-6-4-2/h12H,3-11,16H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide?
(2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide has a molecular weight of 314.43 g/mol, XLogP of 0.04, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide is sourced from PubChem (CID 177434550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).