(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid

C11H24N4O2 — CID 87921702

IUPAC(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid
SMILESCCCCCN[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C11H24N4O2/c1-2-3-4-7-14-9(10(16)17)6-5-8-15-11(12)13/h9,14H,2-8H2,1H3,(H,16,17)(H4,12,13,15)/t9-/m0/s1
InChIKeySVEMJEOWNPDZRC-VIFPVBQESA-N
MW244.34 g/mol
LogP0.27
Rot. Bonds10

About (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid

(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid (PubChem CID 87921702) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid
PubChem CID87921702
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid
SMILESCCCCCN[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C11H24N4O2/c1-2-3-4-7-14-9(10(16)17)6-5-8-15-11(12)13/h9,14H,2-8H2,1H3,(H,16,17)(H4,12,13,15)/t9-/m0/s1
InChIKeySVEMJEOWNPDZRC-VIFPVBQESA-N
XLogP0.27
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid
CID 19382481
(2S)-5-(diaminomethylideneamino)-2-(hexadecylamino)pentanoic acid;phosphoric acid
CID 174589082
16-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]hexadecanoic acid
CID 91121577
2-(dodecylamino)hexanoic acid
CID 139637216
2-(pentylamino)octanoic acid
CID 129188286
(2S)-5-(diaminomethylideneamino)-2-(ethylamino)pentanoic acid;tetradecanal
CID 175413183
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
CID 88629347
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
2-(dodecylamino)-6-isothiocyanatohexanoic acid
CID 169308286
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
6-amino-2-(hexylamino)hexanoic acid
CID 87424914

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid?
The IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid (CID 87921702) is (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid?
The canonical SMILES for (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid is CCCCCN[C@@H](CCCN=C(N)N)C(=O)O.
What is the InChIKey of (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid?
The InChIKey is SVEMJEOWNPDZRC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N4O2/c1-2-3-4-7-14-9(10(16)17)6-5-8-15-11(12)13/h9,14H,2-8H2,1H3,(H,16,17)(H4,12,13,15)/t9-/m0/s1.
What are the key properties of (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid?
(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid has a molecular weight of 244.34 g/mol, XLogP of 0.27, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid is sourced from PubChem (CID 87921702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).