(Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid

C7H13N3O2 — CID 146206627

IUPAC(Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid
SMILESC=N/C(=C\NC)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H13N3O2/c1-9-4-5(10-2)3-6(8)7(11)12/h4,6,9H,2-3,8H2,1H3,(H,11,12)/b5-4-/t6-/m1/s1
InChIKeySUXPLZHBVJHYPN-WWVFMHICSA-N
MW171.20 g/mol
LogP-0.45
Rot. Bonds5

About (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid

(Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid (PubChem CID 146206627) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid.

Molecular Properties

Compound Name(Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid
PubChem CID146206627
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid
SMILESC=N/C(=C\NC)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H13N3O2/c1-9-4-5(10-2)3-6(8)7(11)12/h4,6,9H,2-3,8H2,1H3,(H,11,12)/b5-4-/t6-/m1/s1
InChIKeySUXPLZHBVJHYPN-WWVFMHICSA-N
XLogP-0.45
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
CID 141227673
2-aminobutanedioic acid;selane
CID 174828111
(2S)-2-amino-4-fluoropent-4-enoic acid
CID 11240496
(2S)-2-amino-4-methylhex-4-enoic acid
CID 70268414
(4Z,6E)-2-amino-4-ethenyl-7-hydroxyocta-4,6-dienoic acid;ethane
CID 163388832
(2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid
CID 88570354
bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
CID 174810745
2-aminoacetic acid;2-aminobutanedioic acid
CID 18761839
2-aminobutanedioic acid;methanesulfonic acid
CID 87903305
(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
CID 87358992
(4Z)-2-amino-4-ethylidenepentanedioic acid
CID 57449464
(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid?
The IUPAC name of (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid (CID 146206627) is (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid.
What is the SMILES notation for (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid?
The canonical SMILES for (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid is C=N/C(=C\NC)C[C@@H](N)C(=O)O.
What is the InChIKey of (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid?
The InChIKey is SUXPLZHBVJHYPN-WWVFMHICSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-9-4-5(10-2)3-6(8)7(11)12/h4,6,9H,2-3,8H2,1H3,(H,11,12)/b5-4-/t6-/m1/s1.
What are the key properties of (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid?
(Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid has a molecular weight of 171.20 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-amino-5-(methylamino)-4-(methylideneamino)pent-4-enoic acid is sourced from PubChem (CID 146206627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).