(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid

C7H16N4O3 — CID 57242518

IUPAC(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid
SMILESCN(O)[C@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C7H16N4O3/c1-11(14)5(6(12)13)3-2-4-10-7(8)9/h5,14H,2-4H2,1H3,(H,12,13)(H4,8,9,10)/t5-/m1/s1
InChIKeyFZYGCLWUFIPKOD-RXMQYKEDSA-N
MW204.23 g/mol
LogP-1.19
Rot. Bonds6

About (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid

(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid (PubChem CID 57242518) has the molecular formula C7H16N4O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid
PubChem CID57242518
Molecular FormulaC7H16N4O3
Molecular Weight204.23 g/mol
Exact Mass204.12
IUPAC Name(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid
SMILESCN(O)[C@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C7H16N4O3/c1-11(14)5(6(12)13)3-2-4-10-7(8)9/h5,14H,2-4H2,1H3,(H,12,13)(H4,8,9,10)/t5-/m1/s1
InChIKeyFZYGCLWUFIPKOD-RXMQYKEDSA-N
XLogP-1.19
TPSA125.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid
CID 18391752
2-[carboxy(ethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 87725299
2-[bromo(chloro)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 44815136
(2S)-2-[bis(2-hydroxyethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 87394286
5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
CID 177260030
2-[(4S)-4-[fluoro(methyl)amino]-5-oxohexyl]guanidine
CID 175991669
(2S)-2-[bis(phosphonomethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 25153759
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid
CID 87477675
(2S)-5-(diaminomethylideneamino)-2-(2,4,6-trimethoxy-N-methylanilino)pentanoic acid
CID 174906848
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid?
The IUPAC name of (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid (CID 57242518) is (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid?
The canonical SMILES for (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid is CN(O)[C@H](CCCN=C(N)N)C(=O)O.
What is the InChIKey of (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid?
The InChIKey is FZYGCLWUFIPKOD-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H16N4O3/c1-11(14)5(6(12)13)3-2-4-10-7(8)9/h5,14H,2-4H2,1H3,(H,12,13)(H4,8,9,10)/t5-/m1/s1.
What are the key properties of (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid?
(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid is sourced from PubChem (CID 57242518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).