(2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide

C14H26N4O3 — CID 59883644

IUPAC(2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide
SMILESCN[C@@H](CCC/N=C(\C)N)C(=O)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C14H26N4O3/c1-10(19)8-18(9-11(2)20)14(21)13(16-4)6-5-7-17-12(3)15/h13,16H,5-9H2,1-4H3,(H2,15,17)/t13-/m0/s1
InChIKeyWRCWLLNMKZJXHP-ZDUSSCGKSA-N
MW298.39 g/mol
LogP-0.26
Rot. Bonds10

About (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide

(2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide (PubChem CID 59883644) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide.

Molecular Properties

Compound Name(2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide
PubChem CID59883644
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name(2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide
SMILESCN[C@@H](CCC/N=C(\C)N)C(=O)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C14H26N4O3/c1-10(19)8-18(9-11(2)20)14(21)13(16-4)6-5-7-17-12(3)15/h13,16H,5-9H2,1-4H3,(H2,15,17)/t13-/m0/s1
InChIKeyWRCWLLNMKZJXHP-ZDUSSCGKSA-N
XLogP-0.26
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Ac-ARA-NH2
CID 46864279
Ac-ARA-CONHMe
CID 46889986
Ac-Ala-Arg-Ala-NHiPr
CID 54765828
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-(diaminomethylideneamino)-N-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]pentanamide
CID 54765992
Ac-Abu-Arg-Ala-NH2
CID 54767221
Ac-Ala-Arg-Abu-NH2
CID 54767557
Cho-ara-NH2
CID 46889984
Ac-ARA-CONMe2
CID 46889987
5-amino-N-(3-amino-3-imino-1-methyl-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 313181
(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide
CID 7019987
Ac-AR-NH2
CID 46889982
H2N-Ara-NH2
CID 46889983

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide?
The IUPAC name of (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide (CID 59883644) is (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide.
What is the SMILES notation for (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide?
The canonical SMILES for (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide is CN[C@@H](CCC/N=C(\C)N)C(=O)N(CC(C)=O)CC(C)=O.
What is the InChIKey of (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide?
The InChIKey is WRCWLLNMKZJXHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-10(19)8-18(9-11(2)20)14(21)13(16-4)6-5-7-17-12(3)15/h13,16H,5-9H2,1-4H3,(H2,15,17)/t13-/m0/s1.
What are the key properties of (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide?
(2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide has a molecular weight of 298.39 g/mol, XLogP of -0.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide is sourced from PubChem (CID 59883644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).