2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane

C14H30N4O3 — CID 142574713

IUPAC2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane
SMILESCC(=O)NCC(=O)NC(CCCCN)C(N)=O.CC(C)C
InChIInChI=1S/C10H20N4O3.C4H10/c1-7(15)13-6-9(16)14-8(10(12)17)4-2-3-5-11;1-4(2)3/h8H,2-6,11H2,1H3,(H2,12,17)(H,13,15)(H,14,16);4H,1-3H3
InChIKeyPKJRMKOEVKUQMW-UHFFFAOYSA-N
MW302.42 g/mol
LogP-0.12
Rot. Bonds8

About 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane

2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane (PubChem CID 142574713) has the molecular formula C14H30N4O3 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane
PubChem CID142574713
Molecular FormulaC14H30N4O3
Molecular Weight302.42 g/mol
Exact Mass302.23
IUPAC Name2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane
SMILESCC(=O)NCC(=O)NC(CCCCN)C(N)=O.CC(C)C
InChIInChI=1S/C10H20N4O3.C4H10/c1-7(15)13-6-9(16)14-8(10(12)17)4-2-3-5-11;1-4(2)3/h8H,2-6,11H2,1H3,(H2,12,17)(H,13,15)(H,14,16);4H,1-3H3
InChIKeyPKJRMKOEVKUQMW-UHFFFAOYSA-N
XLogP-0.12
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 5-0.12
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)-2-acetamido-6-aminohexanamide
CID 7021885
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
(2S)-2,6-diamino-N-[2-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]hexanamide
CID 101377410
(4S)-4-[[2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]acetyl]amino]-5-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 15088312
(3S)-3-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 45141238
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanamide
CID 42640815
(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
CID 14299171
6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
CID 59492094
(2S)-2-[[(2S,3S)-2-acetamido-3-hydroxybutanoyl]amino]-6-aminohexanamide
CID 138591531
naphthalen-2-yl 2-[(2-acetamidoacetyl)amino]-6-aminohexanoate
CID 45157636
(2S)-2-[[(4R)-4-[[(2S)-2-acetamidopropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-aminohexanoic acid
CID 88666635
(2S)-2-[[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]amino]-6-aminohexanoic acid
CID 88862190

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane?
The IUPAC name of 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane (CID 142574713) is 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane.
What is the SMILES notation for 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane?
The canonical SMILES for 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane is CC(=O)NCC(=O)NC(CCCCN)C(N)=O.CC(C)C.
What is the InChIKey of 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane?
The InChIKey is PKJRMKOEVKUQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3.C4H10/c1-7(15)13-6-9(16)14-8(10(12)17)4-2-3-5-11;1-4(2)3/h8H,2-6,11H2,1H3,(H2,12,17)(H,13,15)(H,14,16);4H,1-3H3.
What are the key properties of 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane?
2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane has a molecular weight of 302.42 g/mol, XLogP of -0.12, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane is sourced from PubChem (CID 142574713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).